(2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide

C14H21N5O — CID 99926253

IUPAC(2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](Cn1cccn1)C(=O)N(C)CCc1cnn(C)c1
InChIInChI=1S/C14H21N5O/c1-12(10-19-7-4-6-15-19)14(20)17(2)8-5-13-9-16-18(3)11-13/h4,6-7,9,11-12H,5,8,10H2,1-3H3/t12-/m0/s1
InChIKeyIPEXYNMERQJDBT-LBPRGKRZSA-N
MW275.36 g/mol
LogP0.95
Rot. Bonds6

About (2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide

(2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide (PubChem CID 99926253) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide
PubChem CID99926253
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide
SMILESC[C@@H](Cn1cccn1)C(=O)N(C)CCc1cnn(C)c1
InChIInChI=1S/C14H21N5O/c1-12(10-19-7-4-6-15-19)14(20)17(2)8-5-13-9-16-18(3)11-13/h4,6-7,9,11-12H,5,8,10H2,1-3H3/t12-/m0/s1
InChIKeyIPEXYNMERQJDBT-LBPRGKRZSA-N
XLogP0.95
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97194638
2-(dimethylamino)-N-methyl-2-(2-methylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 72873094
N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 72907952
N,N-dimethyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]propanamide
CID 80688817
(2S)-3,3,3-trifluoro-2-hydroxy-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 95399063
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 124594412
3-methyl-5-(1-methylpyrazol-4-yl)pentan-2-one
CID 103004218
2-(1-methylpyrazol-4-yl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 79003445
2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 56824974
1-(2-methylpropyl)-1-[(1-methylpyrazol-4-yl)methyl]-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea
CID 126433746
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]propanamide
CID 97206840
4-methyl-1-(1-methylpyrazol-4-yl)pentan-3-one
CID 62126204

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of (2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide (CID 99926253) is (2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for (2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide is C[C@@H](Cn1cccn1)C(=O)N(C)CCc1cnn(C)c1.
What is the InChIKey of (2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide?
The InChIKey is IPEXYNMERQJDBT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N5O/c1-12(10-19-7-4-6-15-19)14(20)17(2)8-5-13-9-16-18(3)11-13/h4,6-7,9,11-12H,5,8,10H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide?
(2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide has a molecular weight of 275.36 g/mol, XLogP of 0.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 99926253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).