N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

C19H26N4O3 — CID 133123765

IUPACN-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C19H26N4O3/c1-13(2)23-10-17(18(11-23)25-3)20-19(24)16-9-14(21-22-16)12-26-15-7-5-4-6-8-15/h4-9,13,17-18H,10-12H2,1-3H3,(H,20,24)(H,21,22)/t17-,18-/m1/s1
InChIKeyFQCHXPWEBPJZSZ-QZTJIDSGSA-N
MW358.44 g/mol
LogP1.83
Rot. Bonds7

About N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide

N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (PubChem CID 133123765) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
PubChem CID133123765
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
SMILESCO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1cc(COc2ccccc2)[nH]n1
InChIInChI=1S/C19H26N4O3/c1-13(2)23-10-17(18(11-23)25-3)20-19(24)16-9-14(21-22-16)12-26-15-7-5-4-6-8-15/h4-9,13,17-18H,10-12H2,1-3H3,(H,20,24)(H,21,22)/t17-,18-/m1/s1
InChIKeyFQCHXPWEBPJZSZ-QZTJIDSGSA-N
XLogP1.83
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-methyl-1-(1-methylimidazol-2-yl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95197106
N-[2-oxo-2-(propan-2-ylamino)ethyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56744380
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56752617
N-[(2S)-2-methyl-3-(methylamino)-3-oxopropyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95189761
N-(2-acetamidoethyl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56755829
N-(4-methyl-2-oxo-1,3-dihydroindol-3-yl)-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 56744075
2-amino-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-4-phenylpyrimidine-5-carboxamide
CID 118769446
N-[(1S)-1-(4-hydroxyphenyl)propyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95218567
N-[(2R)-butan-2-yl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95207016
5-chloro-N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 133260540
N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2,6-dimethylquinoline-4-carboxamide
CID 70765038
N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-2-(4-phenylpiperidin-1-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide (CID 133123765) is N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is CO[C@@H]1CN(C(C)C)C[C@H]1NC(=O)c1cc(COc2ccccc2)[nH]n1.
What is the InChIKey of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is FQCHXPWEBPJZSZ-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(2)23-10-17(18(11-23)25-3)20-19(24)16-9-14(21-22-16)12-26-15-7-5-4-6-8-15/h4-9,13,17-18H,10-12H2,1-3H3,(H,20,24)(H,21,22)/t17-,18-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide?
N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 133123765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).