N-cyclododecyl-1-methylpyrazol-4-amine

C16H29N3 — CID 43535013

IUPACN-cyclododecyl-1-methylpyrazol-4-amine
SMILESCn1cc(NC2CCCCCCCCCCC2)cn1
InChIInChI=1S/C16H29N3/c1-19-14-16(13-17-19)18-15-11-9-7-5-3-2-4-6-8-10-12-15/h13-15,18H,2-12H2,1H3
InChIKeyYWIIWGVJQNAGHE-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.51
Rot. Bonds2

About N-cyclododecyl-1-methylpyrazol-4-amine

N-cyclododecyl-1-methylpyrazol-4-amine (PubChem CID 43535013) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-cyclododecyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound NameN-cyclododecyl-1-methylpyrazol-4-amine
PubChem CID43535013
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-cyclododecyl-1-methylpyrazol-4-amine
SMILESCn1cc(NC2CCCCCCCCCCC2)cn1
InChIInChI=1S/C16H29N3/c1-19-14-16(13-17-19)18-15-11-9-7-5-3-2-4-6-8-10-12-15/h13-15,18H,2-12H2,1H3
InChIKeyYWIIWGVJQNAGHE-UHFFFAOYSA-N
XLogP4.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-N-cyclohexylpyrazol-4-amine
CID 115777696
N-(4-ethylcyclohexyl)-1-methylpyrazol-4-amine
CID 43535007
N-cycloheptyl-1-ethylpyrazol-4-amine
CID 43543541
N-(azetidin-3-yl)-1-methylpyrazol-4-amine;dihydrochloride
CID 91811702
trans-(1S,2S)-2-[(1-methylpyrazol-4-yl)amino]cyclohexan-1-ol
CID 102731415
N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine
CID 115777714
N-(2,3-dihydro-1H-inden-2-yl)-1-methylpyrazol-4-amine
CID 43534709
1-methyl-N-(1-propan-2-ylazetidin-3-yl)pyrazol-4-amine
CID 155753312
N-cycloheptyl-1-piperidin-4-ylpyrazol-4-amine
CID 82932629
N-(1,5-dimethylpyrrolidin-3-yl)-1-methylpyrazol-4-amine
CID 81465823
1-methyl-N-(1-methylpyrazol-4-yl)piperidin-4-amine;2,2,2-trifluoroacetic acid
CID 155225318
3-[(1-methylpyrazol-4-yl)amino]azepan-2-one
CID 79770473

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-1-methylpyrazol-4-amine?
The IUPAC name of N-cyclododecyl-1-methylpyrazol-4-amine (CID 43535013) is N-cyclododecyl-1-methylpyrazol-4-amine.
What is the SMILES notation for N-cyclododecyl-1-methylpyrazol-4-amine?
The canonical SMILES for N-cyclododecyl-1-methylpyrazol-4-amine is Cn1cc(NC2CCCCCCCCCCC2)cn1.
What is the InChIKey of N-cyclododecyl-1-methylpyrazol-4-amine?
The InChIKey is YWIIWGVJQNAGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-19-14-16(13-17-19)18-15-11-9-7-5-3-2-4-6-8-10-12-15/h13-15,18H,2-12H2,1H3.
What are the key properties of N-cyclododecyl-1-methylpyrazol-4-amine?
N-cyclododecyl-1-methylpyrazol-4-amine has a molecular weight of 263.43 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 43535013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).