N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine

C13H16N4 — CID 62416311

IUPACN-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
SMILESc1cncc(-c2[nH]ncc2CNC2CCC2)c1
InChIInChI=1S/C13H16N4/c1-4-12(5-1)15-8-11-9-16-17-13(11)10-3-2-6-14-7-10/h2-3,6-7,9,12,15H,1,4-5,8H2,(H,16,17)
InChIKeyTYHGICUJBVKOQD-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.11
Rot. Bonds4

About N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine

N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine (PubChem CID 62416311) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
PubChem CID62416311
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC NameN-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine
SMILESc1cncc(-c2[nH]ncc2CNC2CCC2)c1
InChIInChI=1S/C13H16N4/c1-4-12(5-1)15-8-11-9-16-17-13(11)10-3-2-6-14-7-10/h2-3,6-7,9,12,15H,1,4-5,8H2,(H,16,17)
InChIKeyTYHGICUJBVKOQD-UHFFFAOYSA-N
XLogP2.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine 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

3-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43775484
1,1-dioxo-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]thian-4-amine
CID 43778666
[2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 106359814
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclopropan-1-amine
CID 61221388
1-methyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106253383
N'-cyclopentyl-N'-methyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 119123770
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
1-cyclopropyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43776581
4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106127229
2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]cyclobutan-1-ol
CID 114629007
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 47114367
N-[(1-cyclopropylcyclopropyl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
CID 103838560

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine?
The IUPAC name of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine (CID 62416311) is N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine.
What is the SMILES notation for N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine?
The canonical SMILES for N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine is c1cncc(-c2[nH]ncc2CNC2CCC2)c1.
What is the InChIKey of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine?
The InChIKey is TYHGICUJBVKOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-4-12(5-1)15-8-11-9-16-17-13(11)10-3-2-6-14-7-10/h2-3,6-7,9,12,15H,1,4-5,8H2,(H,16,17).
What are the key properties of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine?
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine has a molecular weight of 228.30 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]cyclobutanamine is sourced from PubChem (CID 62416311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).