(2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

C22H33N5O2 — CID 90065237

IUPAC(2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESC[C@H](C1C=C(CCCN)N(c2ccccc2)N1)N(C(=O)[C@H]1CNCCO1)C1CC1
InChIInChI=1S/C22H33N5O2/c1-16(26(17-9-10-17)22(28)21-15-24-12-13-29-21)20-14-19(8-5-11-23)27(25-20)18-6-3-2-4-7-18/h2-4,6-7,14,16-17,20-21,24-25H,5,8-13,15,23H2,1H3/t16-,20?,21-/m1/s1
InChIKeyYUBGUQAGPVBCLC-PMYDAVCKSA-N
MW399.54 g/mol
LogP1.37
Rot. Bonds8

About (2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 90065237) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID90065237
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name(2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESC[C@H](C1C=C(CCCN)N(c2ccccc2)N1)N(C(=O)[C@H]1CNCCO1)C1CC1
InChIInChI=1S/C22H33N5O2/c1-16(26(17-9-10-17)22(28)21-15-24-12-13-29-21)20-14-19(8-5-11-23)27(25-20)18-6-3-2-4-7-18/h2-4,6-7,14,16-17,20-21,24-25H,5,8-13,15,23H2,1H3/t16-,20?,21-/m1/s1
InChIKeyYUBGUQAGPVBCLC-PMYDAVCKSA-N
XLogP1.37
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (CID 90065237) is (2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is C[C@H](C1C=C(CCCN)N(c2ccccc2)N1)N(C(=O)[C@H]1CNCCO1)C1CC1.
What is the InChIKey of (2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is YUBGUQAGPVBCLC-PMYDAVCKSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16(26(17-9-10-17)22(28)21-15-24-12-13-29-21)20-14-19(8-5-11-23)27(25-20)18-6-3-2-4-7-18/h2-4,6-7,14,16-17,20-21,24-25H,5,8-13,15,23H2,1H3/t16-,20?,21-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
(2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 399.54 g/mol, XLogP of 1.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 90065237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).