(1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

C18H25N5 — CID 170418395

IUPAC(1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESN[C@H]1CCC(Nc2cc(C(C3CC3)C3CC3)nc3ccnn23)C1
InChIInChI=1S/C18H25N5/c19-13-5-6-14(9-13)21-17-10-15(22-16-7-8-20-23(16)17)18(11-1-2-11)12-3-4-12/h7-8,10-14,18,21H,1-6,9,19H2/t13-,14?/m0/s1
InChIKeyKYGRRMHGNQPSHN-LSLKUGRBSA-N
MW311.43 g/mol
LogP2.92
Rot. Bonds5

About (1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

(1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 170418395) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is (1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Name(1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
PubChem CID170418395
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name(1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESN[C@H]1CCC(Nc2cc(C(C3CC3)C3CC3)nc3ccnn23)C1
InChIInChI=1S/C18H25N5/c19-13-5-6-14(9-13)21-17-10-15(22-16-7-8-20-23(16)17)18(11-1-2-11)12-3-4-12/h7-8,10-14,18,21H,1-6,9,19H2/t13-,14?/m0/s1
InChIKeyKYGRRMHGNQPSHN-LSLKUGRBSA-N
XLogP2.92
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 170418374
trans-(1S,3S)-3-N-[5-(dicyclopropylmethyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 170418444
trans-(1S,3S)-3-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146502890
trans-(1S,3S)-3-N-[5-(4-methylcyclohexyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558706
trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558697
7-[[(1S,3S)-3-aminocyclopentyl]amino]-5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171409738
trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409749
trans-(1S,3S)-3-N-[5-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558705
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
N-cyclohexyl-5-(1-cyclopropylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 170418529

Frequently Asked Questions

What is the IUPAC name of (1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The IUPAC name of (1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 170418395) is (1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for (1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The canonical SMILES for (1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is N[C@H]1CCC(Nc2cc(C(C3CC3)C3CC3)nc3ccnn23)C1.
What is the InChIKey of (1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The InChIKey is KYGRRMHGNQPSHN-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H25N5/c19-13-5-6-14(9-13)21-17-10-15(22-16-7-8-20-23(16)17)18(11-1-2-11)12-3-4-12/h7-8,10-14,18,21H,1-6,9,19H2/t13-,14?/m0/s1.
What are the key properties of (1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
(1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 311.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 170418395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).