7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H26N6O — CID 171409738

IUPAC7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(N[C@H]3CC[C@H](N)C3)cc(C(C3CC3)C3CC3)nc12
InChIInChI=1S/C19H26N6O/c20-12-5-6-13(7-12)23-16-8-15(17(10-1-2-10)11-3-4-11)24-19-14(18(21)26)9-22-25(16)19/h8-13,17,23H,1-7,20H2,(H2,21,26)/t12-,13-/m0/s1
InChIKeyPZVDGQJAAJANDY-STQMWFEESA-N
MW354.46 g/mol
LogP2.02
Rot. Bonds6

About 7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 171409738) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID171409738
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2c(N[C@H]3CC[C@H](N)C3)cc(C(C3CC3)C3CC3)nc12
InChIInChI=1S/C19H26N6O/c20-12-5-6-13(7-12)23-16-8-15(17(10-1-2-10)11-3-4-11)24-19-14(18(21)26)9-22-25(16)19/h8-13,17,23H,1-7,20H2,(H2,21,26)/t12-,13-/m0/s1
InChIKeyPZVDGQJAAJANDY-STQMWFEESA-N
XLogP2.02
TPSA111.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 170418444
(1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 170418395
trans-(1S,3S)-3-N-[3-chloro-5-[(1R)-1-cyclopropylethyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409632
trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409748
tert-butyl N-[(1S,3S)-3-[[5-(dicyclopropylmethyl)-3-methylsulfanylpyrazolo[1,5-a]pyrimidin-7-yl]amino]cyclopentyl]carbamate
CID 171409759
trans-(1S,3S)-3-N-[5-(cyclopentylmethyl)-3-ethylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409689
trans-(1S,3S)-3-N-[5-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409638
trans-(1S,3S)-3-N-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine;hydrochloride
CID 162370702
trans-(1S,3S)-3-N-[5-(2-cyclopropylpropan-2-yl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409692
trans-(1S,3S)-3-N-[3-methyl-5-[(1-methylcyclobutyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409670
tert-butyl N-[(1S,3S)-3-[(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate;sulfane;trans-(1S,3S)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine;hydrochloride
CID 163835654
trans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 170418374

Frequently Asked Questions

What is the IUPAC name of 7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 171409738) is 7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2c(N[C@H]3CC[C@H](N)C3)cc(C(C3CC3)C3CC3)nc12.
What is the InChIKey of 7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PZVDGQJAAJANDY-STQMWFEESA-N. The full InChI is InChI=1S/C19H26N6O/c20-12-5-6-13(7-12)23-16-8-15(17(10-1-2-10)11-3-4-11)24-19-14(18(21)26)9-22-25(16)19/h8-13,17,23H,1-7,20H2,(H2,21,26)/t12-,13-/m0/s1.
What are the key properties of 7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 171409738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).