N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

C12H19N5 — CID 122167100

IUPACN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCn1ncc(C)c1CNCc1ccn(C)n1
InChIInChI=1S/C12H19N5/c1-4-17-12(10(2)7-14-17)9-13-8-11-5-6-16(3)15-11/h5-7,13H,4,8-9H2,1-3H3
InChIKeyLOCVXDQGHIYCEG-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.23
Rot. Bonds5

About N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine

N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (PubChem CID 122167100) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
PubChem CID122167100
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
SMILESCCn1ncc(C)c1CNCc1ccn(C)n1
InChIInChI=1S/C12H19N5/c1-4-17-12(10(2)7-14-17)9-13-8-11-5-6-16(3)15-11/h5-7,13H,4,8-9H2,1-3H3
InChIKeyLOCVXDQGHIYCEG-UHFFFAOYSA-N
XLogP1.23
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]methanamine
CID 122167116
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-phenylmethanamine
CID 122166030
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)methanamine;hydrochloride
CID 126964300
1-(1-methylpyrazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]methanamine
CID 19625389
N-[(1-ethylpyrrol-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882107
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122167107
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
1-(1-methylpyrazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 103884404
1-(1-methylpyrazol-3-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 78948033
2-[(1-methylpyrazol-3-yl)methylamino]acetonitrile
CID 82881600
N-[(5-ethylfuran-2-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 82882280
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
CID 171156647

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The IUPAC name of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine (CID 122167100) is N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The canonical SMILES for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is CCn1ncc(C)c1CNCc1ccn(C)n1.
What is the InChIKey of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
The InChIKey is LOCVXDQGHIYCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-17-12(10(2)7-14-17)9-13-8-11-5-6-16(3)15-11/h5-7,13H,4,8-9H2,1-3H3.
What are the key properties of N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine?
N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine has a molecular weight of 233.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 122167100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).