1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide

C12H18N4O2 — CID 73440376

IUPAC1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide
SMILESCc1nn(C)cc1C(=O)N1CC(C(=O)N(C)C)C1
InChIInChI=1S/C12H18N4O2/c1-8-10(7-15(4)13-8)12(18)16-5-9(6-16)11(17)14(2)3/h7,9H,5-6H2,1-4H3
InChIKeyMMBKVWKSEXLLIP-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.11
Rot. Bonds2

About 1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide

1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide (PubChem CID 73440376) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide
PubChem CID73440376
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide
SMILESCc1nn(C)cc1C(=O)N1CC(C(=O)N(C)C)C1
InChIInChI=1S/C12H18N4O2/c1-8-10(7-15(4)13-8)12(18)16-5-9(6-16)11(17)14(2)3/h7,9H,5-6H2,1-4H3
InChIKeyMMBKVWKSEXLLIP-UHFFFAOYSA-N
XLogP-0.11
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-3-methylpiperidin-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802438
(3S)-N-cyclopentyl-1-(1,3-dimethylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 92633358
[3-(bromomethyl)pyrrolidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802318
(1,3-dimethylpyrazol-4-yl)-[3-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 102801015
(6S)-1-(1,3-dimethylpyrazole-4-carbonyl)-4-(oxan-4-yl)-1,4-diazepane-6-carboxamide
CID 124970749
[(2S,6R)-2-(1,3-benzodioxol-5-yl)-6-phenylmorpholin-4-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 155501846
[(3R,4S)-3,4-dihydroxy-1-oxa-7-azacyclotetradec-7-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 155998395
6-[1-(1,3-dimethylpyrazole-4-carbonyl)piperidin-3-yl]-N,N-dimethylpyridine-3-carboxamide
CID 110264214
(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 125001754
(2R)-1-acetyl-4-(1,3-dimethylpyrazole-4-carbonyl)-N-methylpiperazine-2-carboxamide
CID 125024551
(1,3-dimethylpyrazol-4-yl)-[3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 129007520
[(3R)-3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(1,3-dimethylpyrazol-4-yl)methanone
CID 124978147

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide?
The IUPAC name of 1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide (CID 73440376) is 1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide.
What is the SMILES notation for 1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide?
The canonical SMILES for 1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide is Cc1nn(C)cc1C(=O)N1CC(C(=O)N(C)C)C1.
What is the InChIKey of 1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide?
The InChIKey is MMBKVWKSEXLLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-10(7-15(4)13-8)12(18)16-5-9(6-16)11(17)14(2)3/h7,9H,5-6H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide?
1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of -0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazole-4-carbonyl)-N,N-dimethylazetidine-3-carboxamide is sourced from PubChem (CID 73440376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).