N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine

C12H19N3 — CID 62113034

IUPACN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine
SMILESC1CCc2[nH]nc(CNC3CC3)c2CC1
InChIInChI=1S/C12H19N3/c1-2-4-10-11(5-3-1)14-15-12(10)8-13-9-6-7-9/h9,13H,1-8H2,(H,14,15)
InChIKeyKDJWLMUCUJYJNK-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.93
Rot. Bonds3

About N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine (PubChem CID 62113034) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine
PubChem CID62113034
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine
SMILESC1CCc2[nH]nc(CNC3CC3)c2CC1
InChIInChI=1S/C12H19N3/c1-2-4-10-11(5-3-1)14-15-12(10)8-13-9-6-7-9/h9,13H,1-8H2,(H,14,15)
InChIKeyKDJWLMUCUJYJNK-UHFFFAOYSA-N
XLogP1.93
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 131922629
N-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine
CID 3157469
2-fluoro-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)cyclopentan-1-amine
CID 126857834
N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)-1,4-dithiepan-6-amine
CID 56711807
4,5,6,7-tetrahydro-1H-indazol-3-ylmethanamine
CID 3163200
3-(2,2-dimethylpropyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole
CID 59453579
1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)methanamine
CID 46988247
1-acetyl-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)azetidine-3-carboxamide
CID 138036020
2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetic acid
CID 21258059
(2S)-2-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)propane-1,2-diamine
CID 104867885
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)cyclohexane-1-carboxamide
CID 170510670
1-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxamide
CID 121494629

Frequently Asked Questions

What is the IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine (CID 62113034) is N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine is C1CCc2[nH]nc(CNC3CC3)c2CC1.
What is the InChIKey of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine?
The InChIKey is KDJWLMUCUJYJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-4-10-11(5-3-1)14-15-12(10)8-13-9-6-7-9/h9,13H,1-8H2,(H,14,15).
What are the key properties of N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine?
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine has a molecular weight of 205.30 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 62113034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).