4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide

C18H25N5O2 — CID 56803623

IUPAC4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide
SMILESCn1nc(CC(C)(C)C)cc1NC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)10-14-9-15(23(4)22-14)21-16(24)13-7-5-12(6-8-13)11-20-17(19)25/h5-9H,10-11H2,1-4H3,(H,21,24)(H3,19,20,25)
InChIKeyGAZKVWDBLYGMPV-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.43
Rot. Bonds5

About 4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide

4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide (PubChem CID 56803623) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide
PubChem CID56803623
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide
SMILESCn1nc(CC(C)(C)C)cc1NC(=O)c1ccc(CNC(N)=O)cc1
InChIInChI=1S/C18H25N5O2/c1-18(2,3)10-14-9-15(23(4)22-14)21-16(24)13-7-5-12(6-8-13)11-20-17(19)25/h5-9H,10-11H2,1-4H3,(H,21,24)(H3,19,20,25)
InChIKeyGAZKVWDBLYGMPV-UHFFFAOYSA-N
XLogP2.43
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide (CID 56803623) is 4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide is Cn1nc(CC(C)(C)C)cc1NC(=O)c1ccc(CNC(N)=O)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide?
The InChIKey is GAZKVWDBLYGMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-18(2,3)10-14-9-15(23(4)22-14)21-16(24)13-7-5-12(6-8-13)11-20-17(19)25/h5-9H,10-11H2,1-4H3,(H,21,24)(H3,19,20,25).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide?
4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide has a molecular weight of 343.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[3-(2,2-dimethylpropyl)-1-methylpyrazol-5-yl]benzamide is sourced from PubChem (CID 56803623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).