methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate

C20H23N5O3 — CID 125440800

IUPACmethyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate
SMILESCC[C@H](NC(=O)c1ccc(-c2cnn(C)c2C(=O)OC)cc1)c1ccnn1C
InChIInChI=1S/C20H23N5O3/c1-5-16(17-10-11-21-24(17)2)23-19(26)14-8-6-13(7-9-14)15-12-22-25(3)18(15)20(27)28-4/h6-12,16H,5H2,1-4H3,(H,23,26)/t16-/m0/s1
InChIKeyHDXNAWUMBWTJPB-INIZCTEOSA-N
MW381.44 g/mol
LogP2.49
Rot. Bonds6

About methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate

methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate (PubChem CID 125440800) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate
PubChem CID125440800
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Namemethyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate
SMILESCC[C@H](NC(=O)c1ccc(-c2cnn(C)c2C(=O)OC)cc1)c1ccnn1C
InChIInChI=1S/C20H23N5O3/c1-5-16(17-10-11-21-24(17)2)23-19(26)14-8-6-13(7-9-14)15-12-22-25(3)18(15)20(27)28-4/h6-12,16H,5H2,1-4H3,(H,23,26)/t16-/m0/s1
InChIKeyHDXNAWUMBWTJPB-INIZCTEOSA-N
XLogP2.49
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
CID 125437307
methyl 4-[4-(aminomethyl)phenyl]-1-methylpyrazole-5-carboxylate
CID 164928869
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97203575
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 95127513
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 125158366
2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
CID 50968548
N-[(1R)-2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 99948395
N-[2-methyl-5-[1-(2-methylpyrazol-3-yl)propylcarbamoyl]phenyl]-1H-pyrrole-2-carboxamide
CID 172665840
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
CID 91783089
N-[2-methoxy-1-(2-methylpyrazol-3-yl)ethyl]-4-[methyl(methylsulfonyl)amino]benzamide
CID 135088798
2-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]amino]propane-1,3-diol
CID 95121354

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate (CID 125440800) is methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate is CC[C@H](NC(=O)c1ccc(-c2cnn(C)c2C(=O)OC)cc1)c1ccnn1C.
What is the InChIKey of methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate?
The InChIKey is HDXNAWUMBWTJPB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-5-16(17-10-11-21-24(17)2)23-19(26)14-8-6-13(7-9-14)15-12-22-25(3)18(15)20(27)28-4/h6-12,16H,5H2,1-4H3,(H,23,26)/t16-/m0/s1.
What are the key properties of methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate?
methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate has a molecular weight of 381.44 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate is sourced from PubChem (CID 125440800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).