N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine

C12H19N5 — CID 122166808

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
SMILESCCn1cc(CNc2ccnn2C(C)C)cn1
InChIInChI=1S/C12H19N5/c1-4-16-9-11(8-15-16)7-13-12-5-6-14-17(12)10(2)3/h5-6,8-10,13H,4,7H2,1-3H3
InChIKeySNPHXWCZBFZMTD-UHFFFAOYSA-N
MW233.32 g/mol
LogP2.29
Rot. Bonds5

About N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine

N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine (PubChem CID 122166808) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
PubChem CID122166808
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
SMILESCCn1cc(CNc2ccnn2C(C)C)cn1
InChIInChI=1S/C12H19N5/c1-4-16-9-11(8-15-16)7-13-12-5-6-14-17(12)10(2)3/h5-6,8-10,13H,4,7H2,1-3H3
InChIKeySNPHXWCZBFZMTD-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167177
2-methyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 115702920
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126967024
N-[[4-(dimethylamino)phenyl]methyl]-2-propan-2-ylpyrazol-3-amine;dihydrochloride
CID 126966578
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 124932342
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126964634
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]aniline
CID 62125641
N-[(1-ethylpyrazol-4-yl)methyl]-4-propylaniline
CID 62127247
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167409
N-[(1-ethylpyrazol-4-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 78966858
2-ethoxy-N-[(1-ethylpyrazol-4-yl)methyl]propan-1-amine
CID 115655686
N-[(1-ethylpyrazol-4-yl)methyl]-5-methyl-1,2-oxazol-3-amine
CID 115914400

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine (CID 122166808) is N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine is CCn1cc(CNc2ccnn2C(C)C)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine?
The InChIKey is SNPHXWCZBFZMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-4-16-9-11(8-15-16)7-13-12-5-6-14-17(12)10(2)3/h5-6,8-10,13H,4,7H2,1-3H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine has a molecular weight of 233.32 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-propan-2-ylpyrazol-3-amine is sourced from PubChem (CID 122166808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).