[(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C19H27N5O5 — CID 169141945

IUPAC[(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCN1C[C@@](C)(C(=O)Nc2cc([C@@H]3C[C@H](OC(=O)NC4(C)CC4)CO3)[nH]n2)CC1=O
InChIInChI=1S/C19H27N5O5/c1-18(8-15(25)24(3)10-18)16(26)20-14-7-12(22-23-14)13-6-11(9-28-13)29-17(27)21-19(2)4-5-19/h7,11,13H,4-6,8-10H2,1-3H3,(H,21,27)(H2,20,22,23,26)/t11-,13-,18-/m0/s1
InChIKeyKNRHQKSEKJSUHY-FNFWKMNBSA-N
MW405.46 g/mol
LogP1.33
Rot. Bonds5

About [(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 169141945) has the molecular formula C19H27N5O5 and a molecular weight of 405.46 g/mol. Its IUPAC name is [(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID169141945
Molecular FormulaC19H27N5O5
Molecular Weight405.46 g/mol
Exact Mass405.20
IUPAC Name[(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESCN1C[C@@](C)(C(=O)Nc2cc([C@@H]3C[C@H](OC(=O)NC4(C)CC4)CO3)[nH]n2)CC1=O
InChIInChI=1S/C19H27N5O5/c1-18(8-15(25)24(3)10-18)16(26)20-14-7-12(22-23-14)13-6-11(9-28-13)29-17(27)21-19(2)4-5-19/h7,11,13H,4-6,8-10H2,1-3H3,(H,21,27)(H2,20,22,23,26)/t11-,13-,18-/m0/s1
InChIKeyKNRHQKSEKJSUHY-FNFWKMNBSA-N
XLogP1.33
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 169141945) is [(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is CN1C[C@@](C)(C(=O)Nc2cc([C@@H]3C[C@H](OC(=O)NC4(C)CC4)CO3)[nH]n2)CC1=O.
What is the InChIKey of [(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is KNRHQKSEKJSUHY-FNFWKMNBSA-N. The full InChI is InChI=1S/C19H27N5O5/c1-18(8-15(25)24(3)10-18)16(26)20-14-7-12(22-23-14)13-6-11(9-28-13)29-17(27)21-19(2)4-5-19/h7,11,13H,4-6,8-10H2,1-3H3,(H,21,27)(H2,20,22,23,26)/t11-,13-,18-/m0/s1.
What are the key properties of [(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 405.46 g/mol, XLogP of 1.33, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5S)-5-[3-[[(3S)-1,3-dimethyl-5-oxopyrrolidine-3-carbonyl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 169141945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).