trans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

C14H20ClN5 — CID 146558384

IUPACtrans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCC(C)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1
InChIInChI=1S/C14H20ClN5/c1-8(2)12-6-13(18-10-4-3-9(16)5-10)20-14(19-12)11(15)7-17-20/h6-10,18H,3-5,16H2,1-2H3/t9-,10-/m0/s1
InChIKeyAIOFXERAXQYANK-UWVGGRQHSA-N
MW293.80 g/mol
LogP2.80
Rot. Bonds3

About trans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (PubChem CID 146558384) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
PubChem CID146558384
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC Nametrans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine
SMILESCC(C)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1
InChIInChI=1S/C14H20ClN5/c1-8(2)12-6-13(18-10-4-3-9(16)5-10)20-14(19-12)11(15)7-17-20/h6-10,18H,3-5,16H2,1-2H3/t9-,10-/m0/s1
InChIKeyAIOFXERAXQYANK-UWVGGRQHSA-N
XLogP2.80
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Istisociclib
CID 146502834
Pyrazolo(1,5-a)pyrimidine, 3-chloro-5,7-dimethyl-
CID 206163
5-(Piperidin-3-yl)-3-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224560
3-Bromo-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 53325998
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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine (CID 146558384) is trans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is CC(C)c1cc(N[C@H]2CC[C@H](N)C2)n2ncc(Cl)c2n1.
What is the InChIKey of trans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
The InChIKey is AIOFXERAXQYANK-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-8(2)12-6-13(18-10-4-3-9(16)5-10)20-14(19-12)11(15)7-17-20/h6-10,18H,3-5,16H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine has a molecular weight of 293.80 g/mol, XLogP of 2.80, 3 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-(3-chloro-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)cyclopentane-1,3-diamine is sourced from PubChem (CID 146558384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).