N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine

C16H29N5 — CID 114538619

IUPACN-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(C)c(N2CC(C)N(C)C(C)C2)c1CNC1CC1
InChIInChI=1S/C16H29N5/c1-11-9-21(10-12(2)19(11)4)16-15(8-17-14-6-7-14)13(3)18-20(16)5/h11-12,14,17H,6-10H2,1-5H3
InChIKeyCSZCEDZLNWGWAD-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.51
Rot. Bonds4

About N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 114538619) has the molecular formula C16H29N5 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID114538619
Molecular FormulaC16H29N5
Molecular Weight291.44 g/mol
Exact Mass291.24
IUPAC NameN-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1nn(C)c(N2CC(C)N(C)C(C)C2)c1CNC1CC1
InChIInChI=1S/C16H29N5/c1-11-9-21(10-12(2)19(11)4)16-15(8-17-14-6-7-14)13(3)18-20(16)5/h11-12,14,17H,6-10H2,1-5H3
InChIKeyCSZCEDZLNWGWAD-UHFFFAOYSA-N
XLogP1.51
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine (CID 114538619) is N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine is Cc1nn(C)c(N2CC(C)N(C)C(C)C2)c1CNC1CC1.
What is the InChIKey of N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is CSZCEDZLNWGWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5/c1-11-9-21(10-12(2)19(11)4)16-15(8-17-14-6-7-14)13(3)18-20(16)5/h11-12,14,17H,6-10H2,1-5H3.
What are the key properties of N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 291.44 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-(3,4,5-trimethylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 114538619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).