trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

C20H23N5 — CID 146558697

IUPACtrans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESN[C@H]1CC[C@H](Nc2cc(-c3ccc(C4CC4)cc3)nc3ccnn23)C1
InChIInChI=1S/C20H23N5/c21-16-7-8-17(11-16)23-20-12-18(24-19-9-10-22-25(19)20)15-5-3-14(4-6-15)13-1-2-13/h3-6,9-10,12-13,16-17,23H,1-2,7-8,11,21H2/t16-,17-/m0/s1
InChIKeyYCSIQUCRUHPMIE-IRXDYDNUSA-N
MW333.44 g/mol
LogP3.57
Rot. Bonds4

About trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 146558697) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
PubChem CID146558697
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Nametrans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESN[C@H]1CC[C@H](Nc2cc(-c3ccc(C4CC4)cc3)nc3ccnn23)C1
InChIInChI=1S/C20H23N5/c21-16-7-8-17(11-16)23-20-12-18(24-19-9-10-22-25(19)20)15-5-3-14(4-6-15)13-1-2-13/h3-6,9-10,12-13,16-17,23H,1-2,7-8,11,21H2/t16-,17-/m0/s1
InChIKeyYCSIQUCRUHPMIE-IRXDYDNUSA-N
XLogP3.57
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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-(3-propan-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 146558705
trans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 170418374
(1S)-3-N-[5-(dicyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 170418395
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-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409749
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-(1-cyclobutylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
CID 171409638
N-[(1R,3R)-3-[(5-cyclopropylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]formamide
CID 146558614
tert-butyl N-[(1S,3S)-3-[(5-cyclopentylpyrazolo[1,5-a]pyrimidin-7-yl)amino]cyclopentyl]carbamate;sulfane;trans-(1S,3S)-3-N-(5-cyclopentylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine;hydrochloride
CID 160739368
5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine
CID 67000939
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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 146558697) is trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is N[C@H]1CC[C@H](Nc2cc(-c3ccc(C4CC4)cc3)nc3ccnn23)C1.
What is the InChIKey of trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The InChIKey is YCSIQUCRUHPMIE-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H23N5/c21-16-7-8-17(11-16)23-20-12-18(24-19-9-10-22-25(19)20)15-5-3-14(4-6-15)13-1-2-13/h3-6,9-10,12-13,16-17,23H,1-2,7-8,11,21H2/t16-,17-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 333.44 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-N-[5-(4-cyclopropylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 146558697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).