N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine

C12H21N3 — CID 83862790

IUPACN-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine
SMILESCNc1c2c(nn1C(C)C)CCCCC2
InChIInChI=1S/C12H21N3/c1-9(2)15-12(13-3)10-7-5-4-6-8-11(10)14-15/h9,13H,4-8H2,1-3H3
InChIKeyIQFAWCFTWYDLTD-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.77
Rot. Bonds2

About N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine

N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine (PubChem CID 83862790) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine
PubChem CID83862790
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine
SMILESCNc1c2c(nn1C(C)C)CCCCC2
InChIInChI=1S/C12H21N3/c1-9(2)15-12(13-3)10-7-5-4-6-8-11(10)14-15/h9,13H,4-8H2,1-3H3
InChIKeyIQFAWCFTWYDLTD-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
CID 83862791
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbaldehyde
CID 112711151
3-chloro-2-(1-cyclopropylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
CID 66022851
2-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-3-yl)-1,3-thiazole
CID 70967687
4-[3-(methylamino)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]phenol
CID 83862475
1-propan-2-yl-3-(trifluoromethyl)-4,5,6,7,8,9-hexahydrocycloocta[d]pyrazole
CID 137483098
1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-amine
CID 83862378
1-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanamine
CID 84652223
2-amino-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)pentanamide
CID 119345963
2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepin-3-amine
CID 83862794
5-oxo-N-(2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 167744952
3-(chloromethyl)-2-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole
CID 121214424

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine?
The IUPAC name of N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine (CID 83862790) is N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine.
What is the SMILES notation for N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine?
The canonical SMILES for N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine is CNc1c2c(nn1C(C)C)CCCCC2.
What is the InChIKey of N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine?
The InChIKey is IQFAWCFTWYDLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)15-12(13-3)10-7-5-4-6-8-11(10)14-15/h9,13H,4-8H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine?
N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine has a molecular weight of 207.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-amine is sourced from PubChem (CID 83862790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).