(6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide

C15H23N5O3 — CID 124996817

IUPAC(6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCn2nccc2C)C[C@H](C(N)=O)C1
InChIInChI=1S/C15H23N5O3/c1-11-3-5-17-20(11)6-4-14(22)19-8-7-18(12(2)21)9-13(10-19)15(16)23/h3,5,13H,4,6-10H2,1-2H3,(H2,16,23)/t13-/m1/s1
InChIKeyQVYBZJNICMEUEI-CYBMUJFWSA-N
MW321.38 g/mol
LogP-0.63
Rot. Bonds4

About (6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide

(6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide (PubChem CID 124996817) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is (6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
PubChem CID124996817
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name(6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
SMILESCC(=O)N1CCN(C(=O)CCn2nccc2C)C[C@H](C(N)=O)C1
InChIInChI=1S/C15H23N5O3/c1-11-3-5-17-20(11)6-4-14(22)19-8-7-18(12(2)21)9-13(10-19)15(16)23/h3,5,13H,4,6-10H2,1-2H3,(H2,16,23)/t13-/m1/s1
InChIKeyQVYBZJNICMEUEI-CYBMUJFWSA-N
XLogP-0.63
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R,4R)-3-(4-acetylpiperazin-1-yl)-4-hydroxypyrrolidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 110108555
N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 110098413
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 124963523
4-(4-acetyl-6-carbamoyl-1,4-diazepan-1-yl)-4-oxobutanoic acid
CID 110107410
(6S)-1-acetyl-4-[3-(3-chloro-1,2-oxazol-5-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124999845
3-(5-methylpyrazol-1-yl)-1-[(2S)-2-pyridin-4-ylmorpholin-4-yl]propan-1-one
CID 125026147
1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 118773140
1-acetyl-4-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 110107423
3-(5-methylpyrazol-1-yl)-1-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110259223
1-[4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 91783232
(6R)-1-acetyl-4-[3-(2-fluorophenyl)propanoyl]-1,4-diazepane-6-carboxamide
CID 124982435
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 24819255

Frequently Asked Questions

What is the IUPAC name of (6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide (CID 124996817) is (6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide is CC(=O)N1CCN(C(=O)CCn2nccc2C)C[C@H](C(N)=O)C1.
What is the InChIKey of (6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide?
The InChIKey is QVYBZJNICMEUEI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-11-3-5-17-20(11)6-4-14(22)19-8-7-18(12(2)21)9-13(10-19)15(16)23/h3,5,13H,4,6-10H2,1-2H3,(H2,16,23)/t13-/m1/s1.
What are the key properties of (6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide?
(6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide has a molecular weight of 321.38 g/mol, XLogP of -0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-1-acetyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124996817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).