N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide

C10H17N5O — CID 63302884

IUPACN-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
SMILESCn1nccc1CNC(=O)C1CNCCN1
InChIInChI=1S/C10H17N5O/c1-15-8(2-3-14-15)6-13-10(16)9-7-11-4-5-12-9/h2-3,9,11-12H,4-7H2,1H3,(H,13,16)
InChIKeyMALAVELIVQSUJN-UHFFFAOYSA-N
MW223.28 g/mol
LogP-1.40
Rot. Bonds3

About N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide

N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide (PubChem CID 63302884) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
PubChem CID63302884
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide
SMILESCn1nccc1CNC(=O)C1CNCCN1
InChIInChI=1S/C10H17N5O/c1-15-8(2-3-14-15)6-13-10(16)9-7-11-4-5-12-9/h2-3,9,11-12H,4-7H2,1H3,(H,13,16)
InChIKeyMALAVELIVQSUJN-UHFFFAOYSA-N
XLogP-1.40
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide (CID 63302884) is N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide is Cn1nccc1CNC(=O)C1CNCCN1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide?
The InChIKey is MALAVELIVQSUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-8(2-3-14-15)6-13-10(16)9-7-11-4-5-12-9/h2-3,9,11-12H,4-7H2,1H3,(H,13,16).
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide?
N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -1.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]piperazine-2-carboxamide is sourced from PubChem (CID 63302884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).