(6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide

C15H25N5O2 — CID 125022126

IUPAC(6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccnn2C(C)C)C1
InChIInChI=1S/C15H25N5O2/c1-11(2)20-13(5-6-17-20)15(22)19-8-7-18(4)9-12(10-19)14(21)16-3/h5-6,11-12H,7-10H2,1-4H3,(H,16,21)/t12-/m1/s1
InChIKeyYOKVOJFXBDADHM-GFCCVEGCSA-N
MW307.40 g/mol
LogP0.21
Rot. Bonds3

About (6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide

(6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide (PubChem CID 125022126) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide
PubChem CID125022126
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccnn2C(C)C)C1
InChIInChI=1S/C15H25N5O2/c1-11(2)20-13(5-6-17-20)15(22)19-8-7-18(4)9-12(10-19)14(21)16-3/h5-6,11-12H,7-10H2,1-4H3,(H,16,21)/t12-/m1/s1
InChIKeyYOKVOJFXBDADHM-GFCCVEGCSA-N
XLogP0.21
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
CID 110098413
N,1-dimethyl-4-(5-methylthiophene-2-carbonyl)-1,4-diazepane-6-carboxamide
CID 110098408
2-(1,4-dimethylpiperazin-2-yl)-1-(2-propan-2-ylpyrazol-3-yl)ethanone
CID 114197551
(2-propan-2-ylpyrazol-3-yl)-(2-pyridin-4-ylmorpholin-4-yl)methanone
CID 155983403
1-(4-methylpiperazin-1-yl)-2-[(3S,4S)-4-phenoxy-1-(2-propan-2-ylpyrazole-3-carbonyl)piperidin-3-yl]ethanone
CID 110078279
(6R)-N,1-dimethyl-4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepane-6-carboxamide
CID 125011280
N,1-dimethyl-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)-1,4-diazepane-6-carboxamide
CID 127245336
(6R)-1-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124961535
(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 95839704
(3-chlorophenyl)-[4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 136515481
N,1-dimethyl-4-(3-thiophen-2-ylpropanoyl)-1,4-diazepane-6-carboxamide
CID 110107458
N,N,1-trimethyl-4-[(2-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepane-6-carboxamide
CID 127245458

Frequently Asked Questions

What is the IUPAC name of (6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide?
The IUPAC name of (6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide (CID 125022126) is (6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide is CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccnn2C(C)C)C1.
What is the InChIKey of (6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide?
The InChIKey is YOKVOJFXBDADHM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11(2)20-13(5-6-17-20)15(22)19-8-7-18(4)9-12(10-19)14(21)16-3/h5-6,11-12H,7-10H2,1-4H3,(H,16,21)/t12-/m1/s1.
What are the key properties of (6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide?
(6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N,1-dimethyl-4-(2-propan-2-ylpyrazole-3-carbonyl)-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 125022126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).