N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide

C14H25N5O — CID 90506981

IUPACN-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H25N5O/c1-10-12(11(2)17-16-10)18-6-8-19(9-7-18)13(20)15-14(3,4)5/h6-9H2,1-5H3,(H,15,20)(H,16,17)
InChIKeyZIDDCYYAKHMOPA-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.66
Rot. Bonds1

About N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide

N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide (PubChem CID 90506981) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
PubChem CID90506981
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
SMILESCc1n[nH]c(C)c1N1CCN(C(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H25N5O/c1-10-12(11(2)17-16-10)18-6-8-19(9-7-18)13(20)15-14(3,4)5/h6-9H2,1-5H3,(H,15,20)(H,16,17)
InChIKeyZIDDCYYAKHMOPA-UHFFFAOYSA-N
XLogP1.66
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide (CID 90506981) is N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide is Cc1n[nH]c(C)c1N1CCN(C(=O)NC(C)(C)C)CC1.
What is the InChIKey of N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide?
The InChIKey is ZIDDCYYAKHMOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-10-12(11(2)17-16-10)18-6-8-19(9-7-18)13(20)15-14(3,4)5/h6-9H2,1-5H3,(H,15,20)(H,16,17).
What are the key properties of N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide?
N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 90506981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).