N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C16H29N3 — CID 79353474

IUPACN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC(C)c1nn(C)cc1CNCC1C(C)(C)C1(C)C
InChIInChI=1S/C16H29N3/c1-11(2)14-12(10-19(7)18-14)8-17-9-13-15(3,4)16(13,5)6/h10-11,13,17H,8-9H2,1-7H3
InChIKeyLESIYJWCQCGSOD-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.32
Rot. Bonds5

About N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 79353474) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID79353474
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCC(C)c1nn(C)cc1CNCC1C(C)(C)C1(C)C
InChIInChI=1S/C16H29N3/c1-11(2)14-12(10-19(7)18-14)8-17-9-13-15(3,4)16(13,5)6/h10-11,13,17H,8-9H2,1-7H3
InChIKeyLESIYJWCQCGSOD-UHFFFAOYSA-N
XLogP3.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine with MolForge

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 112669088
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
N-[(1-methylcyclohexyl)methyl]-1-(1-methyl-3-propan-2-ylpyrazol-4-yl)methanamine
CID 103753035
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43755432
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N',N'-diethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 43761834
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
CID 43754758
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-3-(2-methylpropoxy)propan-1-amine
CID 43770150

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 79353474) is N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is CC(C)c1nn(C)cc1CNCC1C(C)(C)C1(C)C.
What is the InChIKey of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is LESIYJWCQCGSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-11(2)14-12(10-19(7)18-14)8-17-9-13-15(3,4)16(13,5)6/h10-11,13,17H,8-9H2,1-7H3.
What are the key properties of N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 263.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 79353474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).