1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

C17H30ClN3 — CID 114655530

IUPAC1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCNC(c1c(Cl)cnn1C(C)C)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H30ClN3/c1-11(2)13-6-8-14(9-7-13)16(19-5)17-15(18)10-20-21(17)12(3)4/h10-14,16,19H,6-9H2,1-5H3
InChIKeyJEXYCAHNGNFLGC-UHFFFAOYSA-N
MW311.90 g/mol
LogP4.84
Rot. Bonds5

About 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (PubChem CID 114655530) has the molecular formula C17H30ClN3 and a molecular weight of 311.90 g/mol. Its IUPAC name is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
PubChem CID114655530
Molecular FormulaC17H30ClN3
Molecular Weight311.90 g/mol
Exact Mass311.21
IUPAC Name1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
SMILESCNC(c1c(Cl)cnn1C(C)C)C1CCC(C(C)C)CC1
InChIInChI=1S/C17H30ClN3/c1-11(2)13-6-8-14(9-7-13)16(19-5)17-15(18)10-20-21(17)12(3)4/h10-14,16,19H,6-9H2,1-5H3
InChIKeyJEXYCAHNGNFLGC-UHFFFAOYSA-N
XLogP4.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.90
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(3-ethylcyclopentyl)-N-methylmethanamine
CID 114655712
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-cyclohexylmethyl]hydrazine
CID 105201958
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 114649211
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methylmethanamine
CID 114658152
(4-tert-butylcyclohexyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114655573
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(thiolan-2-yl)methyl]hydrazine
CID 105255597
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 105336884
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 105183622
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-ethylcyclohexyl)methanol
CID 114644004
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 114660210
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 114661940
4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-fluoromethyl]piperidine
CID 114667704

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The IUPAC name of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine (CID 114655530) is 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The canonical SMILES for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is CNC(c1c(Cl)cnn1C(C)C)C1CCC(C(C)C)CC1.
What is the InChIKey of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
The InChIKey is JEXYCAHNGNFLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClN3/c1-11(2)13-6-8-14(9-7-13)16(19-5)17-15(18)10-20-21(17)12(3)4/h10-14,16,19H,6-9H2,1-5H3.
What are the key properties of 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine?
1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine has a molecular weight of 311.90 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine is sourced from PubChem (CID 114655530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).