N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide

C17H22N6O3 — CID 167926693

IUPACN-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(CCN(C)C(=O)c1ccn[nH]1)C(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C17H22N6O3/c1-22(10-11-23(2)16(25)14-8-9-19-21-14)15(24)12-18-17(26)20-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3,(H,19,21)(H2,18,20,26)
InChIKeyOSTPRWRJXNLHCS-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.76
Rot. Bonds7

About N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide

N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 167926693) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID167926693
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC NameN-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide
SMILESCN(CCN(C)C(=O)c1ccn[nH]1)C(=O)CNC(=O)Nc1ccccc1
InChIInChI=1S/C17H22N6O3/c1-22(10-11-23(2)16(25)14-8-9-19-21-14)15(24)12-18-17(26)20-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3,(H,19,21)(H2,18,20,26)
InChIKeyOSTPRWRJXNLHCS-UHFFFAOYSA-N
XLogP0.76
TPSA110.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]butanoic acid
CID 43359989
4-[methyl(1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 43172441
methyl 2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]acetate
CID 43409770
N-ethyl-N-methyl-1H-pyrazole-5-carboxamide
CID 70181889
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
N-iodo-N-phenyl-1H-pyrazole-5-carboxamide
CID 141098926
N-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)acetamide
CID 42928470
3-[methyl-[2-[3-[4-(phenylcarbamoylamino)phenyl]propanoylamino]acetyl]amino]propanoic acid
CID 22950869
N-cyclohexyl-N-methyl-2-(phenylcarbamoylamino)acetamide
CID 34249185
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119658630
N-benzyl-N-ethyl-2-(phenylcarbamoylamino)acetamide
CID 112992911
2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide
CID 27868583

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide (CID 167926693) is N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide is CN(CCN(C)C(=O)c1ccn[nH]1)C(=O)CNC(=O)Nc1ccccc1.
What is the InChIKey of N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is OSTPRWRJXNLHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-22(10-11-23(2)16(25)14-8-9-19-21-14)15(24)12-18-17(26)20-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3,(H,19,21)(H2,18,20,26).
What are the key properties of N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide?
N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.76, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-[methyl-[2-(phenylcarbamoylamino)acetyl]amino]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167926693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).