4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide

C17H23N5O3 — CID 95198850

IUPAC4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)c1c(C)nn(C)c1C
InChIInChI=1S/C17H23N5O3/c1-9(15-10(2)21-22(4)11(15)3)19-17(24)20-13-8-12(16(18)23)6-7-14(13)25-5/h6-9H,1-5H3,(H2,18,23)(H2,19,20,24)/t9-/m0/s1
InChIKeyCMDBKOROYXKBIP-VIFPVBQESA-N
MW345.40 g/mol
LogP2.03
Rot. Bonds5

About 4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide

4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide (PubChem CID 95198850) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide
PubChem CID95198850
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide
SMILESCOc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)c1c(C)nn(C)c1C
InChIInChI=1S/C17H23N5O3/c1-9(15-10(2)21-22(4)11(15)3)19-17(24)20-13-8-12(16(18)23)6-7-14(13)25-5/h6-9H,1-5H3,(H2,18,23)(H2,19,20,24)/t9-/m0/s1
InChIKeyCMDBKOROYXKBIP-VIFPVBQESA-N
XLogP2.03
TPSA111.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]carbamoylamino]-4-methoxybenzamide
CID 95311143
N-[2,6-dimethyl-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethylcarbamoylamino]phenyl]acetamide
CID 71883835
4-(2-methoxyphenyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 91776202
methyl 3-[[(1R)-1-(3,4-dimethoxyphenyl)ethyl]carbamoylamino]-4-methoxybenzoate
CID 97452026
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
1-(1-phenylethyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 60595650
3-[(2-amino-3,3-dimethylbutanoyl)amino]-4-methoxybenzamide
CID 76887811
3-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methoxybenzamide
CID 61179555
3-[(2-bromoacetyl)amino]-4-methoxybenzamide
CID 63681026
4-methoxy-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43713844
N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide
CID 81257098
4-methoxy-3-(2-phenoxypropanoylamino)benzamide
CID 5341454

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide?
The IUPAC name of 4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide (CID 95198850) is 4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide.
What is the SMILES notation for 4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide?
The canonical SMILES for 4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide is COc1ccc(C(N)=O)cc1NC(=O)N[C@@H](C)c1c(C)nn(C)c1C.
What is the InChIKey of 4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide?
The InChIKey is CMDBKOROYXKBIP-VIFPVBQESA-N. The full InChI is InChI=1S/C17H23N5O3/c1-9(15-10(2)21-22(4)11(15)3)19-17(24)20-13-8-12(16(18)23)6-7-14(13)25-5/h6-9H,1-5H3,(H2,18,23)(H2,19,20,24)/t9-/m0/s1.
What are the key properties of 4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide?
4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide has a molecular weight of 345.40 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamoylamino]benzamide is sourced from PubChem (CID 95198850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).