N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine

C13H18N4 — CID 43756378

IUPACN-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C13H18N4/c1-3-10(2)15-8-12-9-16-17-13(12)11-5-4-6-14-7-11/h4-7,9-10,15H,3,8H2,1-2H3,(H,16,17)
InChIKeyWYTRGTXGTQCQPI-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.36
Rot. Bonds5

About N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine

N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine (PubChem CID 43756378) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
PubChem CID43756378
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C13H18N4/c1-3-10(2)15-8-12-9-16-17-13(12)11-5-4-6-14-7-11/h4-7,9-10,15H,3,8H2,1-2H3,(H,16,17)
InChIKeyWYTRGTXGTQCQPI-UHFFFAOYSA-N
XLogP2.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-pyridin-3-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81392078
1-pyridin-4-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43766878
1-cyclopropyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43776581
ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate
CID 61498623
(1S)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398695
N,N-dimethyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 43778170
N-ethyl-N-methyl-2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanamide
CID 103107422
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743
N-butan-2-yl-4-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]benzamide
CID 166230930
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine?
The IUPAC name of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine (CID 43756378) is N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine is CCC(C)NCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine?
The InChIKey is WYTRGTXGTQCQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-10(2)15-8-12-9-16-17-13(12)11-5-4-6-14-7-11/h4-7,9-10,15H,3,8H2,1-2H3,(H,16,17).
What are the key properties of N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine?
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]butan-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.36, 5 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]butan-2-amine is sourced from PubChem (CID 43756378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).