4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide

C13H22N4O3 — CID 103154783

IUPAC4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
SMILESCOC(CN)CC(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C13H22N4O3/c1-19-12(6-14)5-13(18)16-10-7-15-17(8-10)9-11-3-2-4-20-11/h7-8,11-12H,2-6,9,14H2,1H3,(H,16,18)
InChIKeyFAIXAXMLCOCCCO-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.36
Rot. Bonds7

About 4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide

4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide (PubChem CID 103154783) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
PubChem CID103154783
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
SMILESCOC(CN)CC(=O)Nc1cnn(CC2CCCO2)c1
InChIInChI=1S/C13H22N4O3/c1-19-12(6-14)5-13(18)16-10-7-15-17(8-10)9-11-3-2-4-20-11/h7-8,11-12H,2-6,9,14H2,1H3,(H,16,18)
InChIKeyFAIXAXMLCOCCCO-UHFFFAOYSA-N
XLogP0.36
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 121145156
4-(methylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 60842431
2-(cyclopropylmethylamino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 60867277
2-(1-hydroxycyclopentyl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 111432419
2-bromo-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]propanamide
CID 107903884
1-methoxy-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 75393767
N-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]prop-2-enamide
CID 129365474
2-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanediamide
CID 60849618
2-amino-3,3-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide
CID 76887991
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]pentanamide
CID 121145145
2-cyclopentyl-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]acetamide
CID 129355562
1-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-3-propan-2-ylurea
CID 121145347

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide (CID 103154783) is 4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide is COC(CN)CC(=O)Nc1cnn(CC2CCCO2)c1.
What is the InChIKey of 4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide?
The InChIKey is FAIXAXMLCOCCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-19-12(6-14)5-13(18)16-10-7-15-17(8-10)9-11-3-2-4-20-11/h7-8,11-12H,2-6,9,14H2,1H3,(H,16,18).
What are the key properties of 4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide?
4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide has a molecular weight of 282.34 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]butanamide is sourced from PubChem (CID 103154783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).