N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine

C15H25N5 — CID 122167168

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
SMILESCCn1cc(CNCc2ccn(CC(C)C)n2)c(C)n1
InChIInChI=1S/C15H25N5/c1-5-19-11-14(13(4)17-19)8-16-9-15-6-7-20(18-15)10-12(2)3/h6-7,11-12,16H,5,8-10H2,1-4H3
InChIKeyHWBVBQQYPHWATG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.35
Rot. Bonds7

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine (PubChem CID 122167168) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
PubChem CID122167168
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
SMILESCCn1cc(CNCc2ccn(CC(C)C)n2)c(C)n1
InChIInChI=1S/C15H25N5/c1-5-19-11-14(13(4)17-19)8-16-9-15-6-7-20(18-15)10-12(2)3/h6-7,11-12,16H,5,8-10H2,1-4H3
InChIKeyHWBVBQQYPHWATG-UHFFFAOYSA-N
XLogP2.35
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122166657
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122169186
2-[[[1-(2-methylpropyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride
CID 126965242
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126963870
N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126966916
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126963926
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(1-ethylpyrazol-3-yl)methyl]ethanamine
CID 19625650
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine;hydrochloride
CID 126966572
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 19626564
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126968344
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine
CID 122167165

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine (CID 122167168) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine is CCn1cc(CNCc2ccn(CC(C)C)n2)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine?
The InChIKey is HWBVBQQYPHWATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-5-19-11-14(13(4)17-19)8-16-9-15-6-7-20(18-15)10-12(2)3/h6-7,11-12,16H,5,8-10H2,1-4H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine has a molecular weight of 275.40 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine is sourced from PubChem (CID 122167168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).