N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide

C12H15N5O2 — CID 99903598

IUPACN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C12H15N5O2/c18-12(8-16-4-1-3-13-16)15-10-6-14-17(7-10)11-2-5-19-9-11/h1,3-4,6-7,11H,2,5,8-9H2,(H,15,18)/t11-/m0/s1
InChIKeyLQVIPKNNXRDWNP-NSHDSACASA-N
MW261.28 g/mol
LogP0.68
Rot. Bonds4

About N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide

N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide (PubChem CID 99903598) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
PubChem CID99903598
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)Nc1cnn([C@H]2CCOC2)c1
InChIInChI=1S/C12H15N5O2/c18-12(8-16-4-1-3-13-16)15-10-6-14-17(7-10)11-2-5-19-9-11/h1,3-4,6-7,11H,2,5,8-9H2,(H,15,18)/t11-/m0/s1
InChIKeyLQVIPKNNXRDWNP-NSHDSACASA-N
XLogP0.68
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopropyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428161
ethyl 4-oxo-4-[[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]amino]butanoate
CID 97428021
2-benzylsulfanyl-N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97428055
(3R)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]oxolane-3-carboxamide
CID 97428174
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]cyclopentanecarboxamide
CID 97428015
N-[1-(oxolan-3-yl)pyrazol-4-yl]cyclobutanecarboxamide
CID 71810120
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-4-pyrrol-1-ylbenzamide
CID 97427952
1-tert-butyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]urea
CID 72719638
2-(1,2-benzoxazol-3-yl)-N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]acetamide
CID 97427988
N-[1-[(3R)-oxolan-3-yl]pyrazol-4-yl]furan-2-carboxamide
CID 97428071
2-chloro-N-[1-(oxolan-3-yl)pyrazol-4-yl]benzamide
CID 71810085
N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide
CID 129355488

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide (CID 99903598) is N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)Nc1cnn([C@H]2CCOC2)c1.
What is the InChIKey of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is LQVIPKNNXRDWNP-NSHDSACASA-N. The full InChI is InChI=1S/C12H15N5O2/c18-12(8-16-4-1-3-13-16)15-10-6-14-17(7-10)11-2-5-19-9-11/h1,3-4,6-7,11H,2,5,8-9H2,(H,15,18)/t11-/m0/s1.
What are the key properties of N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide?
N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 261.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 99903598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).