N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine

C12H17N5 — CID 82871062

IUPACN-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESCn1ccc(Cn2cc(CNC3CC3)cn2)n1
InChIInChI=1S/C12H17N5/c1-16-5-4-12(15-16)9-17-8-10(7-14-17)6-13-11-2-3-11/h4-5,7-8,11,13H,2-3,6,9H2,1H3
InChIKeyBIOXDJZPSMVZHJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.92
Rot. Bonds5

About N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 82871062) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID82871062
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
SMILESCn1ccc(Cn2cc(CNC3CC3)cn2)n1
InChIInChI=1S/C12H17N5/c1-16-5-4-12(15-16)9-17-8-10(7-14-17)6-13-11-2-3-11/h4-5,7-8,11,13H,2-3,6,9H2,1H3
InChIKeyBIOXDJZPSMVZHJ-UHFFFAOYSA-N
XLogP0.92
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
CID 55110496
N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82930291
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114477117
N-[[1-[(1-methylpyrazol-3-yl)methyl]indol-4-yl]methyl]cyclopropanamine
CID 82870272
[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 122166526
N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 65460455
N-[[1-[(5-bromo-3-pyridinyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 113455948
N-[[1-[(2-bromo-5-methoxyphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 65326635
N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine (CID 82871062) is N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine is Cn1ccc(Cn2cc(CNC3CC3)cn2)n1.
What is the InChIKey of N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is BIOXDJZPSMVZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16-5-4-12(15-16)9-17-8-10(7-14-17)6-13-11-2-3-11/h4-5,7-8,11,13H,2-3,6,9H2,1H3.
What are the key properties of N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 231.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82871062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).