N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C15H26N4 — CID 106599163

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCc1nn(C)cc1C(C)N(CC1CCCN1)C1CC1
InChIInChI=1S/C15H26N4/c1-11-15(10-18(3)17-11)12(2)19(14-6-7-14)9-13-5-4-8-16-13/h10,12-14,16H,4-9H2,1-3H3
InChIKeyPTSFBBXVWOREMG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.01
Rot. Bonds5

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 106599163) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID106599163
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCc1nn(C)cc1C(C)N(CC1CCCN1)C1CC1
InChIInChI=1S/C15H26N4/c1-11-15(10-18(3)17-11)12(2)19(14-6-7-14)9-13-5-4-8-16-13/h10,12-14,16H,4-9H2,1-3H3
InChIKeyPTSFBBXVWOREMG-UHFFFAOYSA-N
XLogP2.01
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598998
2-[1-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]ethyl]-4-methylphenol
CID 106599046
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622204
N-[1-(3,4-dimethylphenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599141
N-[1-(3,5-difluorophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599064
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79707420
N-ethyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603461
N-methyl-N-(pyrrolidin-2-ylmethyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 106602715
N-methyl-1-(1-methylpyrazol-4-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106602551
N-but-3-yn-2-yl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599994
N-(4-methylpentan-2-yl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599096
N-[1-(4-nitrophenyl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599151

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 106599163) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is Cc1nn(C)cc1C(C)N(CC1CCCN1)C1CC1.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is PTSFBBXVWOREMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-11-15(10-18(3)17-11)12(2)19(14-6-7-14)9-13-5-4-8-16-13/h10,12-14,16H,4-9H2,1-3H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 262.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106599163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).