N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine

C10H17N3 — CID 63047612

IUPACN-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine
SMILESCCNc1n[nH]c2c1CCCCC2
InChIInChI=1S/C10H17N3/c1-2-11-10-8-6-4-3-5-7-9(8)12-13-10/h2-7H2,1H3,(H2,11,12,13)
InChIKeyNDAWUCHZQCMXSV-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.11
Rot. Bonds2

About N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine

N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine (PubChem CID 63047612) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine.

Molecular Properties

Compound NameN-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine
PubChem CID63047612
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine
SMILESCCNc1n[nH]c2c1CCCCC2
InChIInChI=1S/C10H17N3/c1-2-11-10-8-6-4-3-5-7-9(8)12-13-10/h2-7H2,1H3,(H2,11,12,13)
InChIKeyNDAWUCHZQCMXSV-UHFFFAOYSA-N
XLogP2.11
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine?
The IUPAC name of N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine (CID 63047612) is N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine.
What is the SMILES notation for N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine?
The canonical SMILES for N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine is CCNc1n[nH]c2c1CCCCC2.
What is the InChIKey of N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine?
The InChIKey is NDAWUCHZQCMXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-11-10-8-6-4-3-5-7-9(8)12-13-10/h2-7H2,1H3,(H2,11,12,13).
What are the key properties of N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine?
N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-amine is sourced from PubChem (CID 63047612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).