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

C18H24N4O3 — CID 136264147

IUPAC3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCC(C)N1C[C@@H]([C@H](C1)OC)NC(=O)C2=CC(=NN2)C3=CC=CC=C3O
InChIInChI=1S/C18H24N4O3/c1-11(2)22-9-15(17(10-22)25-3)19-18(24)14-8-13(20-21-14)12-6-4-5-7-16(12)23/h4-8,11,15,17,23H,9-10H2,1-3H3,(H,19,24)(H,20,21)/t15-,17-/m0/s1
InChIKeyMMKMTGQMNSOVSB-RDJZCZTQSA-N
MW344.40 g/mol
LogP1.70
Rot. Bonds5

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

3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 136264147) has the molecular formula C18H24N4O3 and a molecular weight of 344.40 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID136264147
Molecular FormulaC18H24N4O3
Molecular Weight344.40 g/mol
Exact Mass344.18
IUPAC Name3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
SMILESCC(C)N1C[C@@H]([C@H](C1)OC)NC(=O)C2=CC(=NN2)C3=CC=CC=C3O
InChIInChI=1S/C18H24N4O3/c1-11(2)22-9-15(17(10-22)25-3)19-18(24)14-8-13(20-21-14)12-6-4-5-7-16(12)23/h4-8,11,15,17,23H,9-10H2,1-3H3,(H,19,24)(H,20,21)/t15-,17-/m0/s1
InChIKeyMMKMTGQMNSOVSB-RDJZCZTQSA-N
XLogP1.70
TPSA90.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity462

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide (CID 136264147) is 3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is CC(C)N1C[C@@H]([C@H](C1)OC)NC(=O)C2=CC(=NN2)C3=CC=CC=C3O.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is MMKMTGQMNSOVSB-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-11(2)22-9-15(17(10-22)25-3)19-18(24)14-8-13(20-21-14)12-6-4-5-7-16(12)23/h4-8,11,15,17,23H,9-10H2,1-3H3,(H,19,24)(H,20,21)/t15-,17-/m0/s1.
What are the key properties of 3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 344.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-[(3S,4S)-4-methoxy-1-propan-2-ylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 136264147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).