(3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide

C12H18N4O3 — CID 164632385

IUPAC(3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide
SMILESNC(=O)CCn1ccc(NC(=O)[C@H]2CCCOC2)n1
InChIInChI=1S/C12H18N4O3/c13-10(17)3-5-16-6-4-11(15-16)14-12(18)9-2-1-7-19-8-9/h4,6,9H,1-3,5,7-8H2,(H2,13,17)(H,14,15,18)/t9-/m0/s1
InChIKeyMZWMROVFKUVNJL-VIFPVBQESA-N
MW266.30 g/mol
LogP0.12
Rot. Bonds5

About (3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide

(3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide (PubChem CID 164632385) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is (3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide
PubChem CID164632385
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name(3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide
SMILESNC(=O)CCn1ccc(NC(=O)[C@H]2CCCOC2)n1
InChIInChI=1S/C12H18N4O3/c13-10(17)3-5-16-6-4-11(15-16)14-12(18)9-2-1-7-19-8-9/h4,6,9H,1-3,5,7-8H2,(H2,13,17)(H,14,15,18)/t9-/m0/s1
InChIKeyMZWMROVFKUVNJL-VIFPVBQESA-N
XLogP0.12
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide?
The IUPAC name of (3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide (CID 164632385) is (3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide.
What is the SMILES notation for (3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide?
The canonical SMILES for (3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide is NC(=O)CCn1ccc(NC(=O)[C@H]2CCCOC2)n1.
What is the InChIKey of (3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide?
The InChIKey is MZWMROVFKUVNJL-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O3/c13-10(17)3-5-16-6-4-11(15-16)14-12(18)9-2-1-7-19-8-9/h4,6,9H,1-3,5,7-8H2,(H2,13,17)(H,14,15,18)/t9-/m0/s1.
What are the key properties of (3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide?
(3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]oxane-3-carboxamide is sourced from PubChem (CID 164632385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).