(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine

C7H13N3 — CID 1419095

IUPAC(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
SMILESCc1cc(C[C@@H](C)N)n[nH]1
InChIInChI=1S/C7H13N3/c1-5(8)3-7-4-6(2)9-10-7/h4-5H,3,8H2,1-2H3,(H,9,10)/t5-/m1/s1
InChIKeyOHGJHBXVKFERPR-RXMQYKEDSA-N
MW139.20 g/mol
LogP0.61
Rot. Bonds2

About (2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine

(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine (PubChem CID 1419095) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is (2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
PubChem CID1419095
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine
SMILESCc1cc(C[C@@H](C)N)n[nH]1
InChIInChI=1S/C7H13N3/c1-5(8)3-7-4-6(2)9-10-7/h4-5H,3,8H2,1-2H3,(H,9,10)/t5-/m1/s1
InChIKeyOHGJHBXVKFERPR-RXMQYKEDSA-N
XLogP0.61
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The IUPAC name of (2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine (CID 1419095) is (2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine.
What is the SMILES notation for (2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The canonical SMILES for (2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine is Cc1cc(C[C@@H](C)N)n[nH]1.
What is the InChIKey of (2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
The InChIKey is OHGJHBXVKFERPR-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(8)3-7-4-6(2)9-10-7/h4-5H,3,8H2,1-2H3,(H,9,10)/t5-/m1/s1.
What are the key properties of (2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine?
(2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine has a molecular weight of 139.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 1419095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).