1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide

C16H21N5O2 — CID 86986258

IUPAC1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C16H21N5O2/c1-11(2)19-16(23)20-14-6-4-12(5-7-14)8-17-15(22)13-9-18-21(3)10-13/h4-7,9-11H,8H2,1-3H3,(H,17,22)(H2,19,20,23)
InChIKeyBGIWNUABNGPCDN-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.88
Rot. Bonds5

About 1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide

1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide (PubChem CID 86986258) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
PubChem CID86986258
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide
SMILESCC(C)NC(=O)Nc1ccc(CNC(=O)c2cnn(C)c2)cc1
InChIInChI=1S/C16H21N5O2/c1-11(2)19-16(23)20-14-6-4-12(5-7-14)8-17-15(22)13-9-18-21(3)10-13/h4-7,9-11H,8H2,1-3H3,(H,17,22)(H2,19,20,23)
InChIKeyBGIWNUABNGPCDN-UHFFFAOYSA-N
XLogP1.88
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
4-(aminomethyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 119293093
1-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-4-carboxamide
CID 106909878
N-[(4-cyanophenyl)methyl]-1-methylpyrazole-4-carboxamide
CID 47161871
1-[4-[[[N-methyl-C-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]carbonimidoyl]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111741822
N-[(4-cyanophenyl)methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 60506191
4-(propan-2-ylcarbamoylamino)-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55829604
N-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carboxamide
CID 64794504
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 86968649
2-phenyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]triazole-4-carboxamide
CID 46456875
1-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 47143175
4-chloro-3-iodo-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzamide
CID 46456497

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide (CID 86986258) is 1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide is CC(C)NC(=O)Nc1ccc(CNC(=O)c2cnn(C)c2)cc1.
What is the InChIKey of 1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide?
The InChIKey is BGIWNUABNGPCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11(2)19-16(23)20-14-6-4-12(5-7-14)8-17-15(22)13-9-18-21(3)10-13/h4-7,9-11H,8H2,1-3H3,(H,17,22)(H2,19,20,23).
What are the key properties of 1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide?
1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86986258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).