N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

C19H23N5O2 — CID 95197106

IUPACN-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1nccn1C
InChIInChI=1S/C19H23N5O2/c1-13(2)17(18-20-9-10-24(18)3)21-19(25)16-11-14(22-23-16)12-26-15-7-5-4-6-8-15/h4-11,13,17H,12H2,1-3H3,(H,21,25)(H,22,23)/t17-/m0/s1
InChIKeyPACZECMDPHDOAA-KRWDZBQOSA-N
MW353.43 g/mol
LogP2.85
Rot. Bonds7

About N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (PubChem CID 95197106) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
PubChem CID95197106
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1nccn1C
InChIInChI=1S/C19H23N5O2/c1-13(2)17(18-20-9-10-24(18)3)21-19(25)16-11-14(22-23-16)12-26-15-7-5-4-6-8-15/h4-11,13,17H,12H2,1-3H3,(H,21,25)(H,22,23)/t17-/m0/s1
InChIKeyPACZECMDPHDOAA-KRWDZBQOSA-N
XLogP2.85
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56744380
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CID 95218567
N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95189761
N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 133123765
N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56755829
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 125446155
N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-1H-pyrazole-4-carboxamide
CID 125441329
2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
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2-(2H-indazol-3-yl)-N-[2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 118772312
N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-5-[(3-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56750387
N-[(2R)-butan-2-yl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95207016
4-chloro-1-methyl-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]pyrrole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (CID 95197106) is N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is CC(C)[C@H](NC(=O)c1cc(COc2ccccc2)[nH]n1)c1nccn1C.
What is the InChIKey of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is PACZECMDPHDOAA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13(2)17(18-20-9-10-24(18)3)21-19(25)16-11-14(22-23-16)12-26-15-7-5-4-6-8-15/h4-11,13,17H,12H2,1-3H3,(H,21,25)(H,22,23)/t17-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 95197106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).