N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine

C12H21N3 — CID 103724276

IUPACN-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCC(C)n1cc(CNCC2(C)CC2)cn1
InChIInChI=1S/C12H21N3/c1-10(2)15-8-11(7-14-15)6-13-9-12(3)4-5-12/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyJPGKIXOYSGUSPS-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.35
Rot. Bonds5

About N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine

N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 103724276) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID103724276
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCC(C)n1cc(CNCC2(C)CC2)cn1
InChIInChI=1S/C12H21N3/c1-10(2)15-8-11(7-14-15)6-13-9-12(3)4-5-12/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyJPGKIXOYSGUSPS-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 115624288
N-[(1-ethylcyclopentyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103766176
1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 103724220
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
2-methylsulfonyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 115623018
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040
1-(1-ethylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753080
1-(1-tert-butylpyrazol-4-yl)-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103753060

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine (CID 103724276) is N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine is CC(C)n1cc(CNCC2(C)CC2)cn1.
What is the InChIKey of N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is JPGKIXOYSGUSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)15-8-11(7-14-15)6-13-9-12(3)4-5-12/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 103724276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).