5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide

C12H20N4O — CID 79351042

IUPAC5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCC1(C)C(CNC(=O)c2cn[nH]c2N)C1(C)C
InChIInChI=1S/C12H20N4O/c1-11(2)8(12(11,3)4)6-14-10(17)7-5-15-16-9(7)13/h5,8H,6H2,1-4H3,(H,14,17)(H3,13,15,16)
InChIKeyBSBPVVMLYOOSFZ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.40
Rot. Bonds3

About 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide

5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 79351042) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID79351042
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCC1(C)C(CNC(=O)c2cn[nH]c2N)C1(C)C
InChIInChI=1S/C12H20N4O/c1-11(2)8(12(11,3)4)6-14-10(17)7-5-15-16-9(7)13/h5,8H,6H2,1-4H3,(H,14,17)(H3,13,15,16)
InChIKeyBSBPVVMLYOOSFZ-UHFFFAOYSA-N
XLogP1.40
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(2-methylcyclopentyl)methyl]-1H-pyrazole-4-carboxamide
CID 107420177
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-carboxamide
CID 61168270
5-amino-N-(2-aminoethyl)-1H-pyrazole-4-carboxamide
CID 110484096
5-amino-N-(2-chloroethyl)-1H-pyrazole-4-carboxamide
CID 123588221
6-[(5-amino-1H-pyrazole-4-carbonyl)amino]hexanoic acid
CID 110484163
2-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridine-3-carboxamide
CID 79357733
5-amino-N-(2-cyclopentylethyl)-1H-pyrazole-4-carboxamide
CID 60920304
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-1H-pyrazole-4-carboxamide
CID 43159436
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 112671835
5-amino-N-(2-cyclohexylethyl)-1H-pyrazole-4-carboxamide
CID 54932334
5-amino-N-octan-2-yl-1H-pyrazole-4-carboxamide
CID 61478998
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-1H-pyrazole-4-carboxamide
CID 79400745

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide (CID 79351042) is 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide is CC1(C)C(CNC(=O)c2cn[nH]c2N)C1(C)C.
What is the InChIKey of 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is BSBPVVMLYOOSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-11(2)8(12(11,3)4)6-14-10(17)7-5-15-16-9(7)13/h5,8H,6H2,1-4H3,(H,14,17)(H3,13,15,16).
What are the key properties of 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide?
5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 79351042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).