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

C15H25N5O2 — CID 110098413

IUPACN,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(C)CCN(C(=O)CCn2nccc2C)C1
InChIInChI=1S/C15H25N5O2/c1-12-4-6-17-20(12)7-5-14(21)19-9-8-18(3)10-13(11-19)15(22)16-2/h4,6,13H,5,7-11H2,1-3H3,(H,16,22)
InChIKeyPNDIXRWUNRBOSF-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.28
Rot. Bonds4

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

N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide (PubChem CID 110098413) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
PubChem CID110098413
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC NameN,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide
SMILESCNC(=O)C1CN(C)CCN(C(=O)CCn2nccc2C)C1
InChIInChI=1S/C15H25N5O2/c1-12-4-6-17-20(12)7-5-14(21)19-9-8-18(3)10-13(11-19)15(22)16-2/h4,6,13H,5,7-11H2,1-3H3,(H,16,22)
InChIKeyPNDIXRWUNRBOSF-UHFFFAOYSA-N
XLogP-0.28
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide?
The IUPAC name of N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide (CID 110098413) is N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide.
What is the SMILES notation for N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide?
The canonical SMILES for N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide is CNC(=O)C1CN(C)CCN(C(=O)CCn2nccc2C)C1.
What is the InChIKey of N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide?
The InChIKey is PNDIXRWUNRBOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-12-4-6-17-20(12)7-5-14(21)19-9-8-18(3)10-13(11-19)15(22)16-2/h4,6,13H,5,7-11H2,1-3H3,(H,16,22).
What are the key properties of N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide?
N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide has a molecular weight of 307.40 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-4-[3-(5-methylpyrazol-1-yl)propanoyl]-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 110098413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).