(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide

C14H20ClN5O — CID 125158267

IUPAC(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide
SMILESC[C@@H](C(=O)N(C)CCCc1nccn1C)n1cc(Cl)cn1
InChIInChI=1S/C14H20ClN5O/c1-11(20-10-12(15)9-17-20)14(21)19(3)7-4-5-13-16-6-8-18(13)2/h6,8-11H,4-5,7H2,1-3H3/t11-/m0/s1
InChIKeyRXESPGAPPZFWAN-NSHDSACASA-N
MW309.80 g/mol
LogP1.92
Rot. Bonds6

About (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide

(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide (PubChem CID 125158267) has the molecular formula C14H20ClN5O and a molecular weight of 309.80 g/mol. Its IUPAC name is (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide
PubChem CID125158267
Molecular FormulaC14H20ClN5O
Molecular Weight309.80 g/mol
Exact Mass309.14
IUPAC Name(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide
SMILESC[C@@H](C(=O)N(C)CCCc1nccn1C)n1cc(Cl)cn1
InChIInChI=1S/C14H20ClN5O/c1-11(20-10-12(15)9-17-20)14(21)19(3)7-4-5-13-16-6-8-18(13)2/h6,8-11H,4-5,7H2,1-3H3/t11-/m0/s1
InChIKeyRXESPGAPPZFWAN-NSHDSACASA-N
XLogP1.92
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-N,4-dimethyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 72892737
2-(2-chloro-6-fluorophenyl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]acetamide
CID 91784001
2-cyano-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 91789836
2,3-dimethyl-5-(1-methylimidazol-2-yl)pentanoic acid
CID 114532954
(2S)-2-(4-chloropyrazol-1-yl)propanoic acid
CID 7026118
(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 95552052
4-(1-methylimidazol-2-yl)butanoic acid;hydrobromide
CID 175058190
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
cis-(1S,2R)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-2-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 135116609
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 91792038
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]benzamide
CID 56908077
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide?
The IUPAC name of (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide (CID 125158267) is (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide is C[C@@H](C(=O)N(C)CCCc1nccn1C)n1cc(Cl)cn1.
What is the InChIKey of (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide?
The InChIKey is RXESPGAPPZFWAN-NSHDSACASA-N. The full InChI is InChI=1S/C14H20ClN5O/c1-11(20-10-12(15)9-17-20)14(21)19(3)7-4-5-13-16-6-8-18(13)2/h6,8-11H,4-5,7H2,1-3H3/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide?
(2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide has a molecular weight of 309.80 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloropyrazol-1-yl)-N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]propanamide is sourced from PubChem (CID 125158267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).