1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

C16H25N5 — CID 175907250

IUPAC1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCCC(CC)c1cc(C2(N)CCC(N)C2)n2nccc2n1
InChIInChI=1S/C16H25N5/c1-3-11(4-2)13-9-14(16(18)7-5-12(17)10-16)21-15(20-13)6-8-19-21/h6,8-9,11-12H,3-5,7,10,17-18H2,1-2H3
InChIKeyYYJZUZYMNYVXCV-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.30
Rot. Bonds4

About 1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (PubChem CID 175907250) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
PubChem CID175907250
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCCC(CC)c1cc(C2(N)CCC(N)C2)n2nccc2n1
InChIInChI=1S/C16H25N5/c1-3-11(4-2)13-9-14(16(18)7-5-12(17)10-16)21-15(20-13)6-8-19-21/h6,8-9,11-12H,3-5,7,10,17-18H2,1-2H3
InChIKeyYYJZUZYMNYVXCV-UHFFFAOYSA-N
XLogP2.30
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.30
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
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
3-Ethyl-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318090
N-ethyl-N-methyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53320653
N-ethyl-2,6,7,12-tetrazatricyclo[7.5.0.03,7]tetradeca-1,3,5,8-tetraen-8-amine
CID 53324165
5-(Piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53318088
7-Amino-5-n-butylpyrazolo[1,5-a]pyrimidine
CID 19709702
2170137-61-6 (Free base)
CID 153488764
(1R*,3R*)-N-(5-propylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3-cyclopentanediamine
CID 56915928
cis-(1S,3R)-3-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
CID 146502786
1-N-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclobutane-1,3-diamine
CID 146502810

Frequently Asked Questions

What is the IUPAC name of 1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The IUPAC name of 1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (CID 175907250) is 1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for 1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The canonical SMILES for 1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is CCC(CC)c1cc(C2(N)CCC(N)C2)n2nccc2n1.
What is the InChIKey of 1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The InChIKey is YYJZUZYMNYVXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-3-11(4-2)13-9-14(16(18)7-5-12(17)10-16)21-15(20-13)6-8-19-21/h6,8-9,11-12H,3-5,7,10,17-18H2,1-2H3.
What are the key properties of 1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine has a molecular weight of 287.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 175907250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).