N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine

C16H25N5 — CID 114532019

IUPACN-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
SMILESCc1nn(CCc2nccn2C)c(C)c1CCNC1CC1
InChIInChI=1S/C16H25N5/c1-12-15(6-8-17-14-4-5-14)13(2)21(19-12)10-7-16-18-9-11-20(16)3/h9,11,14,17H,4-8,10H2,1-3H3
InChIKeyFDQYKWLRMZQBMQ-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.77
Rot. Bonds7

About N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine

N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine (PubChem CID 114532019) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
PubChem CID114532019
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC NameN-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
SMILESCc1nn(CCc2nccn2C)c(C)c1CCNC1CC1
InChIInChI=1S/C16H25N5/c1-12-15(6-8-17-14-4-5-14)13(2)21(19-12)10-7-16-18-9-11-20(16)3/h9,11,14,17H,4-8,10H2,1-3H3
InChIKeyFDQYKWLRMZQBMQ-UHFFFAOYSA-N
XLogP1.77
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 114532016
N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 103015727
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
4-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214727
N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458284
N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopentanamine
CID 63106366
4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole
CID 114532902
N-[2-[3,5-dimethyl-1-[2-(2-methylpropoxy)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458283
N-[3-methyl-5-(1-methylimidazol-2-yl)pentyl]cyclopropanamine
CID 114532982
N-[2-(1-methylimidazol-2-yl)ethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 61215283
3-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64501340
3-chloro-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutan-1-amine
CID 114531771

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine (CID 114532019) is N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine is Cc1nn(CCc2nccn2C)c(C)c1CCNC1CC1.
What is the InChIKey of N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine?
The InChIKey is FDQYKWLRMZQBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-12-15(6-8-17-14-4-5-14)13(2)21(19-12)10-7-16-18-9-11-20(16)3/h9,11,14,17H,4-8,10H2,1-3H3.
What are the key properties of N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine?
N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine has a molecular weight of 287.41 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 114532019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).