4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide

C14H22N4O2 — CID 62080103

IUPAC4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C14H22N4O2/c1-18(8-10-4-2-3-7-20-10)14(19)13-11(15)12(16-17-13)9-5-6-9/h9-10H,2-8,15H2,1H3,(H,16,17)
InChIKeyBZJDBCULQSMUSD-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.51
Rot. Bonds4

About 4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide

4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 62080103) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID62080103
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCN(CC1CCCCO1)C(=O)c1n[nH]c(C2CC2)c1N
InChIInChI=1S/C14H22N4O2/c1-18(8-10-4-2-3-7-20-10)14(19)13-11(15)12(16-17-13)9-5-6-9/h9-10H,2-8,15H2,1H3,(H,16,17)
InChIKeyBZJDBCULQSMUSD-UHFFFAOYSA-N
XLogP1.51
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435982
4-amino-5-cyclopropyl-N-methyl-N-[3-(methylamino)-3-oxopropyl]-1H-pyrazole-3-carboxamide
CID 106913796
4-amino-5-cyclopropyl-N-methyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62078609
5-amino-N-methyl-N-(oxolan-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 61435935
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
4-amino-5-cyclopropyl-N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-3-carboxamide
CID 102990884
4-amino-N,5-dicyclopropyl-N-(3-methylbutyl)-1H-pyrazole-3-carboxamide
CID 62078982
4-amino-5-cyclopropyl-N-methyl-N-(4-methylpentan-2-yl)-1H-pyrazole-3-carboxamide
CID 62079159
5-amino-N-methyl-N-(oxan-2-ylmethyl)pyridine-2-carboxamide
CID 81315666
4-amino-5-cyclopropyl-N-(4-ethylcyclohexyl)-N-methyl-1H-pyrazole-3-carboxamide
CID 62079532
2-amino-3-chloro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 115540489
4-amino-N-cyclobutyl-5-cyclopropyl-N-(3-hydroxypropyl)-1H-pyrazole-3-carboxamide
CID 102858841

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide (CID 62080103) is 4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide is CN(CC1CCCCO1)C(=O)c1n[nH]c(C2CC2)c1N.
What is the InChIKey of 4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is BZJDBCULQSMUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-18(8-10-4-2-3-7-20-10)14(19)13-11(15)12(16-17-13)9-5-6-9/h9-10H,2-8,15H2,1H3,(H,16,17).
What are the key properties of 4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide?
4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-cyclopropyl-N-methyl-N-(oxan-2-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62080103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).