1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

C16H29N3 — CID 107384414

IUPAC1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCCCNC1CCCCc2c1cnn2CCC(C)C
InChIInChI=1S/C16H29N3/c1-4-10-17-15-7-5-6-8-16-14(15)12-18-19(16)11-9-13(2)3/h12-13,15,17H,4-11H2,1-3H3
InChIKeyMVDFLGANLZFNHB-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.70
Rot. Bonds6

About 1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine

1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (PubChem CID 107384414) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.

Molecular Properties

Compound Name1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
PubChem CID107384414
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
SMILESCCCNC1CCCCc2c1cnn2CCC(C)C
InChIInChI=1S/C16H29N3/c1-4-10-17-15-7-5-6-8-16-14(15)12-18-19(16)11-9-13(2)3/h12-13,15,17H,4-11H2,1-3H3
InChIKeyMVDFLGANLZFNHB-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
1-propan-2-yl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356403
1-[(4-chlorophenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356370
2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752513
2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752487
1-[2-(dimethylamino)ethyl]-N-ethyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356648
2-[4-(pentan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752538
1-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine
CID 107384385
1-[(3-methylphenyl)methyl]-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356831
2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752475
N-methyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 65356397
2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 55234277

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The IUPAC name of 1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine (CID 107384414) is 1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine.
What is the SMILES notation for 1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The canonical SMILES for 1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is CCCNC1CCCCc2c1cnn2CCC(C)C.
What is the InChIKey of 1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
The InChIKey is MVDFLGANLZFNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-10-17-15-7-5-6-8-16-14(15)12-18-19(16)11-9-13(2)3/h12-13,15,17H,4-11H2,1-3H3.
What are the key properties of 1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine?
1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine has a molecular weight of 263.43 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutyl)-N-propyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-4-amine is sourced from PubChem (CID 107384414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).