N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine

C11H17N3 — CID 115757772

IUPACN-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESc1cc(CNCC2(C3CC3)CC2)[nH]n1
InChIInChI=1S/C11H17N3/c1-2-9(1)11(4-5-11)8-12-7-10-3-6-13-14-10/h3,6,9,12H,1-2,4-5,7-8H2,(H,13,14)
InChIKeyCHRNVOMUVAIWAO-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.69
Rot. Bonds5

About N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine

N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine (PubChem CID 115757772) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine
PubChem CID115757772
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine
SMILESc1cc(CNCC2(C3CC3)CC2)[nH]n1
InChIInChI=1S/C11H17N3/c1-2-9(1)11(4-5-11)8-12-7-10-3-6-13-14-10/h3,6,9,12H,1-2,4-5,7-8H2,(H,13,14)
InChIKeyCHRNVOMUVAIWAO-UHFFFAOYSA-N
XLogP1.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The IUPAC name of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine (CID 115757772) is N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine.
What is the SMILES notation for N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The canonical SMILES for N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine is c1cc(CNCC2(C3CC3)CC2)[nH]n1.
What is the InChIKey of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
The InChIKey is CHRNVOMUVAIWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-2-9(1)11(4-5-11)8-12-7-10-3-6-13-14-10/h3,6,9,12H,1-2,4-5,7-8H2,(H,13,14).
What are the key properties of N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine?
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine has a molecular weight of 191.28 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylcyclopropyl)methyl]-1-(1H-pyrazol-5-yl)methanamine is sourced from PubChem (CID 115757772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).