4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

C14H21N5O2 — CID 62076063

IUPAC4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C14H21N5O2/c1-7(2)12-11(15)13(17-16-12)14(20)19(5)6-10-8(3)18-21-9(10)4/h7H,6,15H2,1-5H3,(H,16,17)
InChIKeyKIUMXKOYZCQRNM-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.99
Rot. Bonds4

About 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 62076063) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID62076063
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)c1n[nH]c(C(C)C)c1N
InChIInChI=1S/C14H21N5O2/c1-7(2)12-11(15)13(17-16-12)14(20)19(5)6-10-8(3)18-21-9(10)4/h7H,6,15H2,1-5H3,(H,16,17)
InChIKeyKIUMXKOYZCQRNM-UHFFFAOYSA-N
XLogP1.99
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-methyl-N-[(3-methylphenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62076393
(2S)-2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,3-dimethylbutanamide
CID 61164745
4-amino-N-butan-2-yl-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62075243
(5R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 95203995
4-amino-5-propan-2-yl-N,N-bis(prop-2-enyl)-1H-pyrazole-3-carboxamide
CID 62076228
2-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 60959336
4-amino-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 106391325
4-amino-N-(2-hydroxypropyl)-N,5-dimethyl-1H-pyrazole-3-carboxamide
CID 62333257
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-(6-propan-2-ylpyridazin-3-yl)benzamide
CID 122568132
2,4-diamino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylbenzamide
CID 61109940
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501
4-amino-5-ethyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 55033953

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 62076063) is 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is Cc1noc(C)c1CN(C)C(=O)c1n[nH]c(C(C)C)c1N.
What is the InChIKey of 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is KIUMXKOYZCQRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-7(2)12-11(15)13(17-16-12)14(20)19(5)6-10-8(3)18-21-9(10)4/h7H,6,15H2,1-5H3,(H,16,17).
What are the key properties of 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 291.36 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62076063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).