trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

C16H25N5 — CID 146558359

IUPACtrans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(CC(C)C)nc12
InChIInChI=1S/C16H25N5/c1-10(2)6-14-8-15(19-13-5-4-12(17)7-13)21-16(20-14)11(3)9-18-21/h8-10,12-13,19H,4-7,17H2,1-3H3/t12-,13-/m0/s1
InChIKeyKMZOGVBFLMOBDH-STQMWFEESA-N
MW287.41 g/mol
LogP2.53
Rot. Bonds4

About trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine

trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 146558359) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
PubChem CID146558359
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Nametrans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESCc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(CC(C)C)nc12
InChIInChI=1S/C16H25N5/c1-10(2)6-14-8-15(19-13-5-4-12(17)7-13)21-16(20-14)11(3)9-18-21/h8-10,12-13,19H,4-7,17H2,1-3H3/t12-,13-/m0/s1
InChIKeyKMZOGVBFLMOBDH-STQMWFEESA-N
XLogP2.53
TPSA68.24 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 ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 146558359) is trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is Cc1cnn2c(N[C@H]3CC[C@H](N)C3)cc(CC(C)C)nc12.
What is the InChIKey of trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The InChIKey is KMZOGVBFLMOBDH-STQMWFEESA-N. The full InChI is InChI=1S/C16H25N5/c1-10(2)6-14-8-15(19-13-5-4-12(17)7-13)21-16(20-14)11(3)9-18-21/h8-10,12-13,19H,4-7,17H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 287.41 g/mol, XLogP of 2.53, 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-[3-methyl-5-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 146558359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).