3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide

C17H23N5O2 — CID 119045047

IUPAC3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)Nc1nn(C)cc1-c1ccccc1
InChIInChI=1S/C17H23N5O2/c1-3-10-18-15(23)9-11-19-17(24)20-16-14(12-22(2)21-16)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,23)(H2,19,20,21,24)
InChIKeyMMVDRYFBQYCQCF-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.12
Rot. Bonds7

About 3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide

3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide (PubChem CID 119045047) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide
PubChem CID119045047
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC(=O)Nc1nn(C)cc1-c1ccccc1
InChIInChI=1S/C17H23N5O2/c1-3-10-18-15(23)9-11-19-17(24)20-16-14(12-22(2)21-16)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,23)(H2,19,20,21,24)
InChIKeyMMVDRYFBQYCQCF-UHFFFAOYSA-N
XLogP2.12
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide?
The IUPAC name of 3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide (CID 119045047) is 3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide.
What is the SMILES notation for 3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide?
The canonical SMILES for 3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide is CCCNC(=O)CCNC(=O)Nc1nn(C)cc1-c1ccccc1.
What is the InChIKey of 3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide?
The InChIKey is MMVDRYFBQYCQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-10-18-15(23)9-11-19-17(24)20-16-14(12-22(2)21-16)13-7-5-4-6-8-13/h4-8,12H,3,9-11H2,1-2H3,(H,18,23)(H2,19,20,21,24).
What are the key properties of 3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide?
3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide has a molecular weight of 329.40 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-4-phenylpyrazol-3-yl)carbamoylamino]-N-propylpropanamide is sourced from PubChem (CID 119045047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).