N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine

C13H23N3 — CID 103578457

IUPACN-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCc1cnn(CCNC2CC(C(C)C)C2)c1
InChIInChI=1S/C13H23N3/c1-10(2)12-6-13(7-12)14-4-5-16-9-11(3)8-15-16/h8-10,12-14H,4-7H2,1-3H3
InChIKeyMAIMSRFZTVYSKM-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.22
Rot. Bonds5

About N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine

N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine (PubChem CID 103578457) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine
PubChem CID103578457
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine
SMILESCc1cnn(CCNC2CC(C(C)C)C2)c1
InChIInChI=1S/C13H23N3/c1-10(2)12-6-13(7-12)14-4-5-16-9-11(3)8-15-16/h8-10,12-14H,4-7H2,1-3H3
InChIKeyMAIMSRFZTVYSKM-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine
CID 103699250
3-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexan-1-amine
CID 114078092
1-(1-methylcyclopropyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 115867879
3-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)cyclobutan-1-amine
CID 103560886
3-[2-(4-methylpyrazol-1-yl)ethylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102612942
N-[2-(4-propan-2-yloxypyrazol-1-yl)ethyl]cyclopentanamine
CID 114274297
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclobutan-1-amine
CID 103921783
1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103871913
2-chloro-N-[2-(4-methylpyrazol-1-yl)ethyl]propanamide
CID 103881624
2-[2-(4-methylpyrazol-1-yl)ethylamino]-N-propan-2-ylpropanamide
CID 113232733
N-cyclopropyl-3-(4-methylpyrazol-1-yl)propanamide
CID 19559575
6-methyl-N-[2-(4-methylpyrazol-1-yl)ethyl]-2,3-dihydro-1H-inden-1-amine
CID 103872004

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The IUPAC name of N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine (CID 103578457) is N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine is Cc1cnn(CCNC2CC(C(C)C)C2)c1.
What is the InChIKey of N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine?
The InChIKey is MAIMSRFZTVYSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)12-6-13(7-12)14-4-5-16-9-11(3)8-15-16/h8-10,12-14H,4-7H2,1-3H3.
What are the key properties of N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine?
N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpyrazol-1-yl)ethyl]-3-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 103578457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).