N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C14H25N3 — CID 79358821

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCc1cc(CNCC2C(C)(C)C2(C)C)n(C)n1
InChIInChI=1S/C14H25N3/c1-10-7-11(17(6)16-10)8-15-9-12-13(2,3)14(12,4)5/h7,12,15H,8-9H2,1-6H3
InChIKeyMPJGTBUPWZXAQF-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.50
Rot. Bonds4

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 79358821) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID79358821
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCc1cc(CNCC2C(C)(C)C2(C)C)n(C)n1
InChIInChI=1S/C14H25N3/c1-10-7-11(17(6)16-10)8-15-9-12-13(2,3)14(12,4)5/h7,12,15H,8-9H2,1-6H3
InChIKeyMPJGTBUPWZXAQF-UHFFFAOYSA-N
XLogP2.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1,1-dioxothiolan-2-yl)methanamine
CID 81040640
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
CID 122166754
3-cyclopentyl-N-[(2,5-dimethylpyrazol-3-yl)methyl]propan-1-amine
CID 114136949
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,5-dimethylpyrazol-3-yl)methanamine
CID 114180444
4-[[(2,5-dimethylpyrazol-3-yl)methylamino]methyl]oxan-4-ol
CID 81130976
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dimethyladamantan-1-amine
CID 79997673
1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol
CID 106293010
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965948
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4,4-difluorocyclohexan-1-amine
CID 165412148
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895860
5-(chloromethyl)-1,3-dimethylpyrazole
CID 4961270
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126965966

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 79358821) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is Cc1cc(CNCC2C(C)(C)C2(C)C)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is MPJGTBUPWZXAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10-7-11(17(6)16-10)8-15-9-12-13(2,3)14(12,4)5/h7,12,15H,8-9H2,1-6H3.
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 79358821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).