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

C16H23N5 — CID 171409749

IUPACtrans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESCC1(Cc2cc(N[C@H]3CC[C@H](N)C3)n3nccc3n2)CC1
InChIInChI=1S/C16H23N5/c1-16(5-6-16)10-13-9-15(19-12-3-2-11(17)8-12)21-14(20-13)4-7-18-21/h4,7,9,11-12,19H,2-3,5-6,8,10,17H2,1H3/t11-,12-/m0/s1
InChIKeyCQNDEDLTYOMSMP-RYUDHWBXSA-N
MW285.39 g/mol
LogP2.36
Rot. Bonds4

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

trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 171409749) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
PubChem CID171409749
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Nametrans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESCC1(Cc2cc(N[C@H]3CC[C@H](N)C3)n3nccc3n2)CC1
InChIInChI=1S/C16H23N5/c1-16(5-6-16)10-13-9-15(19-12-3-2-11(17)8-12)21-14(20-13)4-7-18-21/h4,7,9,11-12,19H,2-3,5-6,8,10,17H2,1H3/t11-,12-/m0/s1
InChIKeyCQNDEDLTYOMSMP-RYUDHWBXSA-N
XLogP2.36
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Istisociclib
CID 146502834
N-cyclopentyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3813473
N~2~-[(Trans-4-Aminocyclohexyl)methyl]-N~4~-(3-Cyclopropyl-1h-Pyrazol-5-Yl)pyrimidine-2,4-Diamine
CID 91809513
5-(Piperidin-3-yl)-3-(prop-1-enyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16046077
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
8-Pyrrolidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53321947
8-Piperidin-1-yl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraene
CID 53324629
10-Azetidin-1-yl-6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohepta[f]indene
CID 53325935
3-Bromo-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53325998
4-N-butyl-6-methyl-5-(3-pyrazol-1-ylpropyl)pyrimidine-2,4-diamine
CID 135260428
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
7-Amino-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 53319425

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 171409749) is trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is CC1(Cc2cc(N[C@H]3CC[C@H](N)C3)n3nccc3n2)CC1.
What is the InChIKey of trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The InChIKey is CQNDEDLTYOMSMP-RYUDHWBXSA-N. The full InChI is InChI=1S/C16H23N5/c1-16(5-6-16)10-13-9-15(19-12-3-2-11(17)8-12)21-14(20-13)4-7-18-21/h4,7,9,11-12,19H,2-3,5-6,8,10,17H2,1H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-[5-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 285.39 g/mol, XLogP of 2.36, 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-[(1-methylcyclopropyl)methyl]pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 171409749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).