1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine

C14H20N4 — CID 75442665

IUPAC1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine
SMILESCCCCn1ncc(NCc2cccnc2)c1C
InChIInChI=1S/C14H20N4/c1-3-4-8-18-12(2)14(11-17-18)16-10-13-6-5-7-15-9-13/h5-7,9,11,16H,3-4,8,10H2,1-2H3
InChIKeyGLYRUIMDPMUXGR-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.00
Rot. Bonds6

About 1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine

1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine (PubChem CID 75442665) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine
PubChem CID75442665
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine
SMILESCCCCn1ncc(NCc2cccnc2)c1C
InChIInChI=1S/C14H20N4/c1-3-4-8-18-12(2)14(11-17-18)16-10-13-6-5-7-15-9-13/h5-7,9,11,16H,3-4,8,10H2,1-2H3
InChIKeyGLYRUIMDPMUXGR-UHFFFAOYSA-N
XLogP3.00
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-ethyl-5-methylpyrazol-4-amine;hydrochloride
CID 126964810
2-propyl-N-(pyridin-3-ylmethyl)pyrazol-3-amine;hydrochloride
CID 115606229
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
4-butyl-N-(pyridin-3-ylmethyl)aniline
CID 28675603
2-butyl-4-chloro-5-[(3-methylphenyl)methylamino]pyridazin-3-one
CID 114433970
3-[[(1-ethyl-5-methylpyrazol-4-yl)amino]methyl]phenol
CID 122168784
2-methyl-6-N-pentyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873406
4-bromo-2-butyl-5-[(3-methyl-2-pyridinyl)methylamino]pyridazin-3-one
CID 114437871
2-(chloromethyl)-N-(pyridin-3-ylmethyl)aniline
CID 65024391
N-(pyridin-3-ylmethyl)heptan-1-amine
CID 4716863
4-bromo-2-butyl-5-[(3-methyl-4-pyridinyl)methylamino]pyridazin-3-one
CID 114700839
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine (CID 75442665) is 1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine is CCCCn1ncc(NCc2cccnc2)c1C.
What is the InChIKey of 1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine?
The InChIKey is GLYRUIMDPMUXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-3-4-8-18-12(2)14(11-17-18)16-10-13-6-5-7-15-9-13/h5-7,9,11,16H,3-4,8,10H2,1-2H3.
What are the key properties of 1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine?
1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine has a molecular weight of 244.34 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methyl-N-(pyridin-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 75442665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).