4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide

C10H17N5O — CID 63103024

IUPAC4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C10H17N5O/c1-15-4-2-7(3-5-15)13-10(16)9-8(11)6-12-14-9/h6-7H,2-5,11H2,1H3,(H,12,14)(H,13,16)
InChIKeyMFBIFZUDTNNBBC-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.18
Rot. Bonds2

About 4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide

4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 63103024) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID63103024
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
SMILESCN1CCC(NC(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C10H17N5O/c1-15-4-2-7(3-5-15)13-10(16)9-8(11)6-12-14-9/h6-7H,2-5,11H2,1H3,(H,12,14)(H,13,16)
InChIKeyMFBIFZUDTNNBBC-UHFFFAOYSA-N
XLogP-0.18
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide (CID 63103024) is 4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide is CN1CCC(NC(=O)c2[nH]ncc2N)CC1.
What is the InChIKey of 4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is MFBIFZUDTNNBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-4-2-7(3-5-15)13-10(16)9-8(11)6-12-14-9/h6-7H,2-5,11H2,1H3,(H,12,14)(H,13,16).
What are the key properties of 4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide?
4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 223.28 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-methylpiperidin-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 63103024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).