N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide

C14H25N5O3S — CID 138042265

IUPACN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
SMILESCCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C14H25N5O3S/c1-5-19-12(3)13(11(2)16-19)15-14(20)17-7-6-8-18(10-9-17)23(4,21)22/h5-10H2,1-4H3,(H,15,20)
InChIKeyOZNQPYSLRFPKCG-UHFFFAOYSA-N
MW343.45 g/mol
LogP1.02
Rot. Bonds3

About N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide (PubChem CID 138042265) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
PubChem CID138042265
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC NameN-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
SMILESCCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C
InChIInChI=1S/C14H25N5O3S/c1-5-19-12(3)13(11(2)16-19)15-14(20)17-7-6-8-18(10-9-17)23(4,21)22/h5-10H2,1-4H3,(H,15,20)
InChIKeyOZNQPYSLRFPKCG-UHFFFAOYSA-N
XLogP1.02
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)acetamide
CID 46977003
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6,6-difluoro-1,4-oxazepane-4-carboxamide
CID 154737340
3-(2,5-difluorophenyl)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)piperidine-1-carboxamide
CID 119046289
N-(2,2-dimethylpropyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 110749479
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)cyclopentanecarboxamide
CID 3564038
N-(cyclopentylmethyl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide
CID 47253167
4-methylsulfonyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 47197934
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)oxolane-2-carboxamide
CID 39854323
2-amino-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)acetamide;hydrochloride
CID 130639181
(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97064402
4-methylsulfonyl-N-pentan-3-ylpiperazine-1-carboxamide
CID 108888440
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-3,5-dimethylpiperidine-1-carboxamide
CID 75441301

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide?
The IUPAC name of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide (CID 138042265) is N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide.
What is the SMILES notation for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide?
The canonical SMILES for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide is CCn1nc(C)c(NC(=O)N2CCCN(S(C)(=O)=O)CC2)c1C.
What is the InChIKey of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide?
The InChIKey is OZNQPYSLRFPKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-5-19-12(3)13(11(2)16-19)15-14(20)17-7-6-8-18(10-9-17)23(4,21)22/h5-10H2,1-4H3,(H,15,20).
What are the key properties of N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide?
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-methylsulfonyl-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 138042265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).