N-methyl-5-propan-2-yl-1H-pyrazol-3-amine

C7H13N3 — CID 54595009

IUPACN-methyl-5-propan-2-yl-1H-pyrazol-3-amine
SMILESCNc1cc(C(C)C)[nH]n1
InChIInChI=1S/C7H13N3/c1-5(2)6-4-7(8-3)10-9-6/h4-5H,1-3H3,(H2,8,9,10)
InChIKeyUKIBLLJCNXFDLN-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.57
Rot. Bonds2

About N-methyl-5-propan-2-yl-1H-pyrazol-3-amine

N-methyl-5-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 54595009) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-methyl-5-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-methyl-5-propan-2-yl-1H-pyrazol-3-amine
PubChem CID54595009
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-methyl-5-propan-2-yl-1H-pyrazol-3-amine
SMILESCNc1cc(C(C)C)[nH]n1
InChIInChI=1S/C7H13N3/c1-5(2)6-4-7(8-3)10-9-6/h4-5H,1-3H3,(H2,8,9,10)
InChIKeyUKIBLLJCNXFDLN-UHFFFAOYSA-N
XLogP1.57
TPSA40.71 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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of N-methyl-5-propan-2-yl-1H-pyrazol-3-amine (CID 54595009) is N-methyl-5-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for N-methyl-5-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for N-methyl-5-propan-2-yl-1H-pyrazol-3-amine is CNc1cc(C(C)C)[nH]n1.
What is the InChIKey of N-methyl-5-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is UKIBLLJCNXFDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)6-4-7(8-3)10-9-6/h4-5H,1-3H3,(H2,8,9,10).
What are the key properties of N-methyl-5-propan-2-yl-1H-pyrazol-3-amine?
N-methyl-5-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 139.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 54595009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).