1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide

C14H20N4O3 — CID 91771585

IUPAC1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCn1cc(C(NC(=O)C2(C(N)=O)CC2)C2CC(O)C2)cn1
InChIInChI=1S/C14H20N4O3/c1-18-7-9(6-16-18)11(8-4-10(19)5-8)17-13(21)14(2-3-14)12(15)20/h6-8,10-11,19H,2-5H2,1H3,(H2,15,20)(H,17,21)
InChIKeyTZVIIMLZQFLGJD-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.39
Rot. Bonds5

About 1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide

1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide (PubChem CID 91771585) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide
PubChem CID91771585
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide
SMILESCn1cc(C(NC(=O)C2(C(N)=O)CC2)C2CC(O)C2)cn1
InChIInChI=1S/C14H20N4O3/c1-18-7-9(6-16-18)11(8-4-10(19)5-8)17-13(21)14(2-3-14)12(15)20/h6-8,10-11,19H,2-5H2,1H3,(H2,15,20)(H,17,21)
InChIKeyTZVIIMLZQFLGJD-UHFFFAOYSA-N
XLogP-0.39
TPSA110.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]oxane-4-carboxamide
CID 91780833
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 91761841
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 91776644
5-chloro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 91790041
1-(furan-2-ylmethyl)-3-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]urea
CID 91773609
N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 91779886
5-fluoro-2-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91772771
3-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 91775812
3-chloro-4-hydroxy-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91795698
1-cyclopropyl-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]pyrrole-2-carboxamide
CID 91771002
4-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]-2-methylbenzamide
CID 91788133
2-chloro-5-fluoro-N-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]benzamide
CID 91763580

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide (CID 91771585) is 1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide is Cn1cc(C(NC(=O)C2(C(N)=O)CC2)C2CC(O)C2)cn1.
What is the InChIKey of 1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is TZVIIMLZQFLGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-18-7-9(6-16-18)11(8-4-10(19)5-8)17-13(21)14(2-3-14)12(15)20/h6-8,10-11,19H,2-5H2,1H3,(H2,15,20)(H,17,21).
What are the key properties of 1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide?
1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 292.34 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3-hydroxycyclobutyl)-(1-methylpyrazol-4-yl)methyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 91771585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).