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

C15H21N5 — CID 170418374

IUPACtrans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESN[C@H]1CC[C@H](Nc2cc(CC3CC3)nc3ccnn23)C1
InChIInChI=1S/C15H21N5/c16-11-3-4-12(8-11)18-15-9-13(7-10-1-2-10)19-14-5-6-17-20(14)15/h5-6,9-12,18H,1-4,7-8,16H2/t11-,12-/m0/s1
InChIKeyLMHPCXKNISVYLM-RYUDHWBXSA-N
MW271.37 g/mol
LogP1.97
Rot. Bonds4

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

trans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (PubChem CID 170418374) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is trans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
PubChem CID170418374
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Nametrans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine
SMILESN[C@H]1CC[C@H](Nc2cc(CC3CC3)nc3ccnn23)C1
InChIInChI=1S/C15H21N5/c16-11-3-4-12(8-11)18-15-9-13(7-10-1-2-10)19-14-5-6-17-20(14)15/h5-6,9-12,18H,1-4,7-8,16H2/t11-,12-/m0/s1
InChIKeyLMHPCXKNISVYLM-RYUDHWBXSA-N
XLogP1.97
TPSA68.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.97
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-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The IUPAC name of trans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine (CID 170418374) is trans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine.
What is the SMILES notation for trans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The canonical SMILES for trans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is N[C@H]1CC[C@H](Nc2cc(CC3CC3)nc3ccnn23)C1.
What is the InChIKey of trans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
The InChIKey is LMHPCXKNISVYLM-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H21N5/c16-11-3-4-12(8-11)18-15-9-13(7-10-1-2-10)19-14-5-6-17-20(14)15/h5-6,9-12,18H,1-4,7-8,16H2/t11-,12-/m0/s1.
What are the key properties of trans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine?
trans-(1S,3S)-3-N-[5-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine has a molecular weight of 271.37 g/mol, XLogP of 1.97, 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-(cyclopropylmethyl)pyrazolo[1,5-a]pyrimidin-7-yl]cyclopentane-1,3-diamine is sourced from PubChem (CID 170418374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).