5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide

C19H24N4O3 — CID 52511609

IUPAC5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide
SMILESCC[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1OCC(=O)NC
InChIInChI=1S/C19H24N4O3/c1-3-14(13-6-4-5-7-17(13)26-11-18(24)20-2)21-19(25)16-10-15(22-23-16)12-8-9-12/h4-7,10,12,14H,3,8-9,11H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)/t14-/m1/s1
InChIKeyHWWIUYUIARASRD-CQSZACIVSA-N
MW356.43 g/mol
LogP2.29
Rot. Bonds8

About 5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide (PubChem CID 52511609) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide
PubChem CID52511609
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide
SMILESCC[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1OCC(=O)NC
InChIInChI=1S/C19H24N4O3/c1-3-14(13-6-4-5-7-17(13)26-11-18(24)20-2)21-19(25)16-10-15(22-23-16)12-8-9-12/h4-7,10,12,14H,3,8-9,11H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)/t14-/m1/s1
InChIKeyHWWIUYUIARASRD-CQSZACIVSA-N
XLogP2.29
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide (CID 52511609) is 5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide is CC[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)c1ccccc1OCC(=O)NC.
What is the InChIKey of 5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HWWIUYUIARASRD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-3-14(13-6-4-5-7-17(13)26-11-18(24)20-2)21-19(25)16-10-15(22-23-16)12-8-9-12/h4-7,10,12,14H,3,8-9,11H2,1-2H3,(H,20,24)(H,21,25)(H,22,23)/t14-/m1/s1.
What are the key properties of 5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 2.29, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1R)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 52511609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).