1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide

C14H26N4O — CID 120654519

IUPAC1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1cnn(C(C)(C)C)c1C
InChIInChI=1S/C14H26N4O/c1-7-15-10(2)8-16-13(19)12-9-17-18(11(12)3)14(4,5)6/h9-10,15H,7-8H2,1-6H3,(H,16,19)/t10-/m1/s1
InChIKeyPMZOADBPTMOQAD-SNVBAGLBSA-N
MW266.39 g/mol
LogP1.67
Rot. Bonds5

About 1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide

1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide (PubChem CID 120654519) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide
PubChem CID120654519
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1cnn(C(C)(C)C)c1C
InChIInChI=1S/C14H26N4O/c1-7-15-10(2)8-16-13(19)12-9-17-18(11(12)3)14(4,5)6/h9-10,15H,7-8H2,1-6H3,(H,16,19)/t10-/m1/s1
InChIKeyPMZOADBPTMOQAD-SNVBAGLBSA-N
XLogP1.67
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 120652379
1-tert-butyl-5-ethyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 120826921
1-ethyl-N-[(2R)-2-(ethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
CID 120654873
(2S)-2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 119361432
N-(1-amino-2-methylpropan-2-yl)-1-tert-butyl-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119521515
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818036
2-[(1-tert-butyl-5-methylpyrazole-4-carbonyl)-methylamino]propanoic acid
CID 131961353
1-(4-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 120651600
N-[(2R)-2-(ethylamino)propyl]-4-methylthiophene-3-carboxamide;hydrochloride
CID 120651296
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide
CID 120653289
1-tert-butyl-5-methyl-N-(4-methyl-1,3-thiazol-5-yl)pyrazole-4-carboxamide
CID 100647431
N-[(2R)-2-(ethylamino)propyl]-5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 120654935

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide (CID 120654519) is 1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide is CCN[C@H](C)CNC(=O)c1cnn(C(C)(C)C)c1C.
What is the InChIKey of 1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is PMZOADBPTMOQAD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H26N4O/c1-7-15-10(2)8-16-13(19)12-9-17-18(11(12)3)14(4,5)6/h9-10,15H,7-8H2,1-6H3,(H,16,19)/t10-/m1/s1.
What are the key properties of 1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide?
1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[(2R)-2-(ethylamino)propyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 120654519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).