trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

C19H29N5 — CID 171409748

IUPACtrans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc([C@H](C)C3CCCC3)nc12
InChIInChI=1S/C19H29N5/c1-12-11-21-24-18(22-16-8-7-15(20)9-16)10-17(23-19(12)24)13(2)14-5-3-4-6-14/h10-11,13-16,22H,3-9,20H2,1-2H3/t13-,15+,16+/m1/s1
InChIKeyQVYJPJMLCSEZCJ-KBMXLJTQSA-N
MW327.48 g/mol
LogP3.62
Rot. Bonds4

About trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 171409748) has the molecular formula C19H29N5 and a molecular weight of 327.48 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
PubChem CID171409748
Molecular FormulaC19H29N5
Molecular Weight327.48 g/mol
Exact Mass327.24
IUPAC Nametrans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc([C@H](C)C3CCCC3)nc12
InChIInChI=1S/C19H29N5/c1-12-11-21-24-18(22-16-8-7-15(20)9-16)10-17(23-19(12)24)13(2)14-5-3-4-6-14/h10-11,13-16,22H,3-9,20H2,1-2H3/t13-,15+,16+/m1/s1
InChIKeyQVYJPJMLCSEZCJ-KBMXLJTQSA-N
XLogP3.62
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 146502834
CID 146502834
CID 3813473
CID 3813473
CID 4366552
CID 4366552
CID 9867790
CID 9867790
CID 16046077
CID 16046077
CID 16224369
CID 16224369
CID 16224560
CID 16224560
CID 16224566
CID 16224566
CID 53321363
CID 53321363
CID 53321632
CID 53321632
CID 53321947
CID 53321947
CID 53324629
CID 53324629

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 171409748) is trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc([C@H](C)C3CCCC3)nc12.
What is the InChIKey of trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The InChIKey is QVYJPJMLCSEZCJ-KBMXLJTQSA-N. The full InChI is InChI=1S/C19H29N5/c1-12-11-21-24-18(22-16-8-7-15(20)9-16)10-17(23-19(12)24)13(2)14-5-3-4-6-14/h10-11,13-16,22H,3-9,20H2,1-2H3/t13-,15+,16+/m1/s1.
What are the key properties of trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-[5-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 327.48 g/mol, XLogP of 3.62, 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-[(1R)-1-cyclopentylethyl]-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 171409748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).