(1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine

C14H25N3 — CID 97104049

IUPAC(1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine
SMILESCc1cc(C[C@H](C)N[C@@H]2CCCC2(C)C)n[nH]1
InChIInChI=1S/C14H25N3/c1-10(8-12-9-11(2)16-17-12)15-13-6-5-7-14(13,3)4/h9-10,13,15H,5-8H2,1-4H3,(H,16,17)/t10-,13+/m0/s1
InChIKeyBXYQTXYPFCLRCB-GXFFZTMASA-N
MW235.37 g/mol
LogP2.82
Rot. Bonds4

About (1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine

(1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine (PubChem CID 97104049) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine
PubChem CID97104049
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine
SMILESCc1cc(C[C@H](C)N[C@@H]2CCCC2(C)C)n[nH]1
InChIInChI=1S/C14H25N3/c1-10(8-12-9-11(2)16-17-12)15-13-6-5-7-14(13,3)4/h9-10,13,15H,5-8H2,1-4H3,(H,16,17)/t10-,13+/m0/s1
InChIKeyBXYQTXYPFCLRCB-GXFFZTMASA-N
XLogP2.82
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine (CID 97104049) is (1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine is Cc1cc(C[C@H](C)N[C@@H]2CCCC2(C)C)n[nH]1.
What is the InChIKey of (1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine?
The InChIKey is BXYQTXYPFCLRCB-GXFFZTMASA-N. The full InChI is InChI=1S/C14H25N3/c1-10(8-12-9-11(2)16-17-12)15-13-6-5-7-14(13,3)4/h9-10,13,15H,5-8H2,1-4H3,(H,16,17)/t10-,13+/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine?
(1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-N-[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]cyclopentan-1-amine is sourced from PubChem (CID 97104049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).