N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide

C12H20N4O — CID 66126091

IUPACN-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CC(N)C2)n(C)n1
InChIInChI=1S/C12H20N4O/c1-8-4-11(16(3)14-8)12(17)15(2)7-9-5-10(13)6-9/h4,9-10H,5-7,13H2,1-3H3
InChIKeyVMNQAWIGJAYPBD-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.54
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide

N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide (PubChem CID 66126091) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
PubChem CID66126091
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CC(N)C2)n(C)n1
InChIInChI=1S/C12H20N4O/c1-8-4-11(16(3)14-8)12(17)15(2)7-9-5-10(13)6-9/h4,9-10H,5-7,13H2,1-3H3
InChIKeyVMNQAWIGJAYPBD-UHFFFAOYSA-N
XLogP0.54
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 115759708
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798
N-[[2-(aminomethyl)phenyl]methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 66126875
N,2,5-trimethyl-N-[[(4S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl]methyl]pyrazole-3-carboxamide
CID 129328717
N-[(4-bromophenyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 61057739
N,2,5-trimethyl-N-(2-piperidin-2-ylethyl)pyrazole-3-carboxamide
CID 66126689
N-(1-aminopropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide;hydrochloride
CID 119583908
N-(cyclopropylmethyl)-2,5-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrazole-3-carboxamide
CID 129003814
N-(3-amino-3-sulfanylidenepropyl)-N-cyclopropyl-2,5-dimethylpyrazole-3-carboxamide
CID 66127983
N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide
CID 104555901
N-(2-bromoethyl)-N-cyclobutyl-2,5-dimethylpyrazole-3-carboxamide
CID 102873292
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide
CID 146085594

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide (CID 66126091) is N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)CC2CC(N)C2)n(C)n1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
The InChIKey is VMNQAWIGJAYPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8-4-11(16(3)14-8)12(17)15(2)7-9-5-10(13)6-9/h4,9-10H,5-7,13H2,1-3H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide?
N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-N,2,5-trimethylpyrazole-3-carboxamide is sourced from PubChem (CID 66126091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).