N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide

C13H24N4O — CID 125446001

IUPACN-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCC(C)[C@@H](CNC(=O)CCc1cn[nH]c1)N(C)C
InChIInChI=1S/C13H24N4O/c1-10(2)12(17(3)4)9-14-13(18)6-5-11-7-15-16-8-11/h7-8,10,12H,5-6,9H2,1-4H3,(H,14,18)(H,15,16)/t12-/m1/s1
InChIKeyZMSDEPQTEZPDLQ-GFCCVEGCSA-N
MW252.36 g/mol
LogP1.04
Rot. Bonds7

About N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide

N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide (PubChem CID 125446001) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide
PubChem CID125446001
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide
SMILESCC(C)[C@@H](CNC(=O)CCc1cn[nH]c1)N(C)C
InChIInChI=1S/C13H24N4O/c1-10(2)12(17(3)4)9-14-13(18)6-5-11-7-15-16-8-11/h7-8,10,12H,5-6,9H2,1-4H3,(H,14,18)(H,15,16)/t12-/m1/s1
InChIKeyZMSDEPQTEZPDLQ-GFCCVEGCSA-N
XLogP1.04
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(dimethylamino)phenyl]-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60755620
N-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131905145
N-[(2R)-2-(dimethylamino)-3-methylbutyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 30894313
N-[2-(dimethylamino)-3-methylbutyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 42940238
N-[2-(dimethylamino)-3-methylbutyl]-2-methoxyacetamide
CID 60724343
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135939335
3-methyl-2-[[[methyl(1H-pyrazol-4-ylmethyl)carbamoyl]amino]methyl]butanoic acid
CID 65226677
3-(1H-pyrazol-4-yl)propanamide
CID 22405803
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-3-(1H-pyrazol-4-yl)propanamide
CID 131919090
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylethyl)propanamide
CID 122560537
N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
CID 126809556
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 131916256

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide (CID 125446001) is N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide is CC(C)[C@@H](CNC(=O)CCc1cn[nH]c1)N(C)C.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide?
The InChIKey is ZMSDEPQTEZPDLQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10(2)12(17(3)4)9-14-13(18)6-5-11-7-15-16-8-11/h7-8,10,12H,5-6,9H2,1-4H3,(H,14,18)(H,15,16)/t12-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide?
N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide has a molecular weight of 252.36 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-3-methylbutyl]-3-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 125446001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).