(2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide

C14H20N4O3 — CID 124670470

IUPAC(2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)Nc2cnn(CC3CCOCC3)c2)N1
InChIInChI=1S/C14H20N4O3/c19-13-2-1-12(17-13)14(20)16-11-7-15-18(9-11)8-10-3-5-21-6-4-10/h7,9-10,12H,1-6,8H2,(H,16,20)(H,17,19)/t12-/m1/s1
InChIKeyHCPVSGNMNIUVKS-GFCCVEGCSA-N
MW292.34 g/mol
LogP0.53
Rot. Bonds4

About (2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 124670470) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is (2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide
PubChem CID124670470
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name(2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide
SMILESO=C1CC[C@H](C(=O)Nc2cnn(CC3CCOCC3)c2)N1
InChIInChI=1S/C14H20N4O3/c19-13-2-1-12(17-13)14(20)16-11-7-15-18(9-11)8-10-3-5-21-6-4-10/h7,9-10,12H,1-6,8H2,(H,16,20)(H,17,19)/t12-/m1/s1
InChIKeyHCPVSGNMNIUVKS-GFCCVEGCSA-N
XLogP0.53
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dioxopyrrolidin-1-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]acetamide
CID 90622210
(2R)-N-[1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide
CID 99883242
2-ethyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622077
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-prop-2-enylurea
CID 90622375
1-(3,5-dimethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622367
1-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-3-pentan-3-ylurea
CID 90622354
3-cyclohexyl-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]propanamide
CID 90622084
4-bromo-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622120
4-acetamido-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]benzamide
CID 90622047
N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-4-phenylbenzamide
CID 90622137
4-(1,3-dioxoisoindol-2-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622248
1-(2-ethoxyphenyl)-3-[1-(oxan-4-ylmethyl)pyrazol-4-yl]urea
CID 90622357

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide (CID 124670470) is (2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide is O=C1CC[C@H](C(=O)Nc2cnn(CC3CCOCC3)c2)N1.
What is the InChIKey of (2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is HCPVSGNMNIUVKS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O3/c19-13-2-1-12(17-13)14(20)16-11-7-15-18(9-11)8-10-3-5-21-6-4-10/h7,9-10,12H,1-6,8H2,(H,16,20)(H,17,19)/t12-/m1/s1.
What are the key properties of (2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 124670470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).