N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide

C15H21N5O — CID 75380848

IUPACN,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide
SMILESCN(C)C(=O)CCCn1ccc(NCc2ccncc2)n1
InChIInChI=1S/C15H21N5O/c1-19(2)15(21)4-3-10-20-11-7-14(18-20)17-12-13-5-8-16-9-6-13/h5-9,11H,3-4,10,12H2,1-2H3,(H,17,18)
InChIKeyVOWNDSLIOGAAGL-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.76
Rot. Bonds7

About N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide

N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide (PubChem CID 75380848) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide
PubChem CID75380848
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide
SMILESCN(C)C(=O)CCCn1ccc(NCc2ccncc2)n1
InChIInChI=1S/C15H21N5O/c1-19(2)15(21)4-3-10-20-11-7-14(18-20)17-12-13-5-8-16-9-6-13/h5-9,11H,3-4,10,12H2,1-2H3,(H,17,18)
InChIKeyVOWNDSLIOGAAGL-UHFFFAOYSA-N
XLogP1.76
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N,1-trimethyl-3-(pyridin-4-ylmethylamino)pyrrole-2-carboxamide
CID 82027109
N-[1-[4-(dimethylamino)-4-oxobutyl]pyrazol-3-yl]-4-methoxynaphthalene-1-carboxamide
CID 167926582
2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
CID 114250987
2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 122168607
1-(2-methyl-2-methylsulfanylpropyl)-3-[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]urea
CID 71991991
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine
CID 71918479
3-[[[1-[2-(dimethylamino)ethyl]pyrazol-3-yl]amino]methyl]phenol
CID 71854918
4-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]butanamide
CID 119871291
N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine
CID 122168625
methyl 4-[3-(dimethylcarbamoyl)pyrazol-1-yl]butanoate
CID 64781303
2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
CID 103256802
N,N-dimethyl-4-[[(1S)-1-pyridin-4-ylethyl]amino]butanamide
CID 81410553

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide?
The IUPAC name of N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide (CID 75380848) is N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide.
What is the SMILES notation for N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide?
The canonical SMILES for N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide is CN(C)C(=O)CCCn1ccc(NCc2ccncc2)n1.
What is the InChIKey of N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide?
The InChIKey is VOWNDSLIOGAAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-19(2)15(21)4-3-10-20-11-7-14(18-20)17-12-13-5-8-16-9-6-13/h5-9,11H,3-4,10,12H2,1-2H3,(H,17,18).
What are the key properties of N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide?
N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide has a molecular weight of 287.37 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-(pyridin-4-ylmethylamino)pyrazol-1-yl]butanamide is sourced from PubChem (CID 75380848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).